Geometry & MOs

Info

ID:	144208
PubChem CID:	53332606
Reduced:	BrON4H15C17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	370.04292
ΔH_f, kcal/mol:	63.29
Dipole, Da:	5.26
IP(EA), eV:	-9.51(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=C(N=N2)C(=O)NCC3=CC(=CC=C3)Br

DOS

IR

Vibrations