Geometry & MOs

Info

ID:	351302
PubChem CID:	127280190
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	384.227374
ΔH_f, kcal/mol:	-55.85
Dipole, Da:	4.56
IP(EA), eV:	-9.07(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CN2CCN(CC2)C(=O)CN3C=CC=N3

DOS

IR

Vibrations