Geometry & MOs

Info

ID:	120807
PubChem CID:	50745365
Reduced:	BrON4H17C22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	464.125133
ΔH_f, kcal/mol:	88.09
Dipole, Da:	10.11
IP(EA), eV:	-8.86(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)NC3=CC=C(C=C3)Br)C4=CC=CC=C4

DOS

IR

Vibrations