Geometry & MOs

Info

ID:	128449
PubChem CID:	51044611
Reduced:	OSN6H14C16 (1)
Stoich.:	ABC6D14E16 (1)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	97.14
Dipole, Da:	10.28
IP(EA), eV:	-8.52(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)NC2=CC3=C(C=C2)NC=C3)N4C=NN=N4)C

DOS

IR

Vibrations