Geometry & MOs

Info

ID:	358471
PubChem CID:	127296067
Reduced:	O3N5C18H33 (1)
Stoich.:	A3B5C18D33 (1)
Weight, g/mol:	319.237211
ΔH_f, kcal/mol:	-161.04
Dipole, Da:	7.23
IP(EA), eV:	-8.73(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-pyrazol-1-ylpropan-2-yl)-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CN1CCCCC1)NC(=O)NCCC(=O)N2CCN(CC2)C(=O)C

DOS

IR

Vibrations