Geometry & MOs

Info

ID:	358504
PubChem CID:	127296100
Reduced:	O3N5C20H37 (1)
Stoich.:	A3B5C20D37 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-175.41
Dipole, Da:	2.73
IP(EA), eV:	-8.51(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)CC(C)NC(=O)NCCC(=O)N2CCN(CC2)C(=O)C)C

DOS

IR

Vibrations