Geometry & MOs

Info

ID:	299947
PubChem CID:	118043286
Reduced:	O3N7C23H29 (1)
Stoich.:	A3B7C23D29 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	-72.39
Dipole, Da:	6.87
IP(EA), eV:	-9.11(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3S)-3-aminopyrrolidin-1-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)N)N3CC[C@@H](C3)NC(=O)C=C

DOS

IR

Vibrations