Geometry & MOs

Info

ID:	358100
PubChem CID:	127295645
Reduced:	SO2N4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-92.81
Dipole, Da:	3.45
IP(EA), eV:	-8.45(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NC3=NC4=C(S3)CCCC4

DOS

IR

Vibrations