Geometry & MOs

Info

ID:

321869

PubChem CID:

126667100

Reduced:

O2N8C29H34 (1)

Stoich.:

A2B8C29D34 (1)

Weight, g/mol:

538.225243

ΔHf, kcal/mol:

51.55

Dipole, Da:

6.94

IP(EA), eV:

 -7.88(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(difluoromethoxy)-4-[4-(dimethylamino)piperidin-1-yl]-5-nitrophenyl]-4-(1-methylpyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C=CC=N2)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N5CCCC5CN(C)C)OC

DOS

IR

Vibrations