Geometry & MOs

Info

ID:	347939
PubChem CID:	127273001
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	360.252526
ΔH_f, kcal/mol:	-106.58
Dipole, Da:	6.23
IP(EA), eV:	-8.89(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN2C=C(N=C2C1)CNC(=O)CNC(=O)CC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations