Geometry & MOs

Info

ID:	358394
PubChem CID:	127295939
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-25.98
Dipole, Da:	5.11
IP(EA), eV:	-8.62(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3

DOS

IR

Vibrations