Geometry & MOs

Info

ID:	358104
PubChem CID:	127295649
Reduced:	SO2N4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-72.45
Dipole, Da:	4.03
IP(EA), eV:	-8.9(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(2,5-dimethylpyrazol-3-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NC3=NC=CS3

DOS

IR

Vibrations