Geometry & MOs

Info

ID:	358235
PubChem CID:	127295780
Reduced:	OSN2C8H13 (2)
Stoich.:	ABC2D8E13 (2)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-66.1
Dipole, Da:	4.1
IP(EA), eV:	-8.52(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(C)NC(=O)NCC2(CCSC2)N3CCOCC3

DOS

IR

Vibrations