Geometry & MOs

Info

ID:	144207
PubChem CID:	53332255
Reduced:	ClO2N4H23C24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	370.04292
ΔH_f, kcal/mol:	-7.85
Dipole, Da:	2.78
IP(EA), eV:	-8.67(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN3C=CN(C(=O)C3=C2)CCC(=O)NCC4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations