Geometry & MOs

Info

ID:	358474
PubChem CID:	127296070
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-79.67
Dipole, Da:	8.68
IP(EA), eV:	-8.57(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCC3=CC(=CC=C3)N4CCCC4=O

DOS

IR

Vibrations