Geometry & MOs

Info

ID:	9544
PubChem CID:	90752
Reduced:	NC6H7 (3)
Stoich.:	AB6C7 (3)
Weight, g/mol:	279.173548
ΔH_f, kcal/mol:	76.69
Dipole, Da:	2.13
IP(EA), eV:	-8.7(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzhydryl-1,5-dimethyl-5,6-dihydro-2H-1,2,4-triazine

Drug info:

PubChemData

Smile

CC1CN(NC(=N1)C(C2=CC=CC=C2)C3=CC=CC=C3)C

DOS

IR

Vibrations