Geometry & MOs

Info

ID:	231606
PubChem CID:	87574299
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	411.146203
ΔH_f, kcal/mol:	-132.45
Dipole, Da:	2.52
IP(EA), eV:	-9.07(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(CC1=CC(=CC=C1)OC)(C=O)N=C=O

DOS

IR

Vibrations