Geometry & MOs

Info

ID:	31703
PubChem CID:	858070
Reduced:	ClOSN3H12C16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	314.185509
ΔH_f, kcal/mol:	74.0
Dipole, Da:	1.65
IP(EA), eV:	-8.62(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-aminophenyl)tetrazol-2-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide

Drug info:

PubChemData

Smile

C1=COC(=C1)CNC2=C(N=C3N2C=C(C=C3)Cl)C4=CC=CS4

DOS

IR

Vibrations