Geometry & MOs

Info

ID:

336557

PubChem CID:

127255564

Reduced:

O3N7C31H35 (1)

Stoich.:

A3B7C31D35 (1)

Weight, g/mol:

635.308084

ΔHf, kcal/mol:

38.95

Dipole, Da:

7.59

IP(EA), eV:

 -8.4(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-(triazolo[4,5-b]pyridin-3-yloxy)propanamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)N(C4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC)C(=O)C=C

DOS

IR

Vibrations