Geometry & MOs

Info

ID:	363807
PubChem CID:	127313454
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	-118.7
Dipole, Da:	5.29
IP(EA), eV:	-9.04(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2H-benzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CCC2)C(=O)NCCN3CCN(CC3)C(=O)C4CCC4

DOS

IR

Vibrations