Geometry & MOs

Info

ID:	178125
PubChem CID:	76281576
Reduced:	O4C23H32 (1)
Stoich.:	A4B23C32 (1)
Weight, g/mol:	441.216475
ΔH_f, kcal/mol:	-192.99
Dipole, Da:	1.85
IP(EA), eV:	-8.23(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)O[C@H]1CCC2[C@@]1(CCC3C2CCC4=CC(=C(C=C34)OC)O)C

DOS

IR

Vibrations