Geometry & MOs

Info

ID:	448996
PubChem CID:	135295052
Reduced:	OPC21H25 (1)
Stoich.:	ABC21D25 (1)
Weight, g/mol:	463.200825
ΔH_f, kcal/mol:	75.42
Dipole, Da:	4.51
IP(EA), eV:	-8.05(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(1,5-dimethyl-6-oxopyridin-3-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

C/C=C(\C/C(=C\C(=C)C1=C(P=C1C)C)/C)/C2=CCC(C=C2)C=O

DOS

IR

Vibrations