Geometry & MOs

Info

ID:	349164
PubChem CID:	127274890
Reduced:	O3N7C16H25 (1)
Stoich.:	A3B7C16D25 (1)
Weight, g/mol:	377.217538
ΔH_f, kcal/mol:	-55.79
Dipole, Da:	4.59
IP(EA), eV:	-9.6(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCC1C(=O)N2CCN(CC2)C(=O)CN3C=NN=N3

DOS

IR

Vibrations