Geometry & MOs

Info

ID:	231545
PubChem CID:	87574083
Reduced:	N2O2C5H12 (1)
Stoich.:	A2B2C5D12 (1)
Weight, g/mol:	512.209137
ΔH_f, kcal/mol:	-97.65
Dipole, Da:	3.89
IP(EA), eV:	-9.59(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]methyl]-N-ethyl-N-(3-methylphenyl)benzamide

Drug info:

PubChemData

Smile

CC(C(CN)C(=O)O)N

DOS

IR

Vibrations