Geometry & MOs

Info

ID:	59425
PubChem CID:	24861240
Reduced:	N3H12C13 (2)
Stoich.:	A3B12C13 (2)
Weight, g/mol:	512.178373
ΔH_f, kcal/mol:	135.36
Dipole, Da:	0.59
IP(EA), eV:	-8.42(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-aminopyridin-3-yl)methylamino]-1-[(4-methoxyphenyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-dione

Drug info:

PubChemData

Smile

C1CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C(=CC(=N5)C6=CC=CC=C6)CN

DOS

IR

Vibrations