Geometry & MOs

Info

ID:	31372
PubChem CID:	855632
Reduced:	OSN3C18H19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	285.15896
ΔH_f, kcal/mol:	13.61
Dipole, Da:	1.59
IP(EA), eV:	-9.04(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-3-(tetrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=NC=C3

DOS

IR

Vibrations