Geometry & MOs

Info

ID:	358404
PubChem CID:	127295949
Reduced:	O3N4C19H30 (1)
Stoich.:	A3B4C19D30 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-118.87
Dipole, Da:	5.8
IP(EA), eV:	-8.12(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(3-pyrazol-1-ylphenyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=NC=C(C=C2)NC(=O)N(C)CC3CCCOC3

DOS

IR

Vibrations