Geometry & MOs

Info

ID:	23063
PubChem CID:	601496
Reduced:	ClN2H8C11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	406.075202
ΔH_f, kcal/mol:	120.73
Dipole, Da:	4.16
IP(EA), eV:	-9.08(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dichlorophenyl)methyl]-5,6-diphenyl-1,2,4-triazin-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N=NC(=N2)NCC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4

DOS

IR

Vibrations