Geometry & MOs

Info

ID:	43065
PubChem CID:	10318273
Reduced:	ClNOC10H10 (2)
Stoich.:	ABCD10E10 (2)
Weight, g/mol:	391.100457
ΔH_f, kcal/mol:	-61.41
Dipole, Da:	6.65
IP(EA), eV:	-8.59(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2H-tetrazol-5-yl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=O)OC(=N2)C3=C(C=C(C=C3)Cl)Cl)C4CCCCC4)C

DOS

IR

Vibrations