Geometry & MOs

Info

ID:

317619

PubChem CID:

126644354

Reduced:

Cl2O2N5C22H23 (1)

Stoich.:

A2B2C5D22E23 (1)

Weight, g/mol:

638.369287

ΔHf, kcal/mol:

-16.79

Dipole, Da:

6.18

IP(EA), eV:

 -8.7(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[(3S,4S)-4-[[4-[4-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]phenyl]phenyl]methoxy]-1-methylpyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(N=C2)N)C(=O)NC3CCCC3OCC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations