Geometry & MOs

Info

ID:	137216
PubChem CID:	52172029
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	-54.77
Dipole, Da:	3.65
IP(EA), eV:	-9.32(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCC(=O)N[C@@H]1CCC2=CC=CC=C12

DOS

IR

Vibrations