Geometry & MOs

Info

ID:	170365
PubChem CID:	75221652
Reduced:	O2Cl3N5C18H18 (1)
Stoich.:	A2B3C5D18E18 (1)
Weight, g/mol:	449.171256
ΔH_f, kcal/mol:	-19.95
Dipole, Da:	2.61
IP(EA), eV:	-8.91(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-diphenyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)N=CC2=C(N(N=C2C)CC3=C(C=CC=C3Cl)Cl)Cl)C

DOS

IR

Vibrations