Geometry & MOs

Info

ID:	49016
PubChem CID:	11528617
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	216.137497
ΔH_f, kcal/mol:	-20.51
Dipole, Da:	4.95
IP(EA), eV:	-8.83(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N,N-dimethylaniline

Drug info:

PubChemData

Smile

C=CC(=O)NC1=CC=CC=C1NC(=O)C=C

DOS

IR

Vibrations