Geometry & MOs

Info

ID:	164383
PubChem CID:	74393307
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	463.247107
ΔH_f, kcal/mol:	-134.53
Dipole, Da:	4.32
IP(EA), eV:	-9.47(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzhydryl-6-(2-hydroxybutanoylamino)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCCC2CCC(N2C1=O)C(=O)NCC3=CC=CC=C3)N

DOS

IR

Vibrations