Geometry & MOs

Info

ID:	358500
PubChem CID:	127296096
Reduced:	O3N5C19H35 (1)
Stoich.:	A3B5C19D35 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-168.67
Dipole, Da:	2.9
IP(EA), eV:	-8.5(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)CC(C)NC(=O)NCCC(=O)N2CCN(CC2)C(=O)C

DOS

IR

Vibrations