Geometry & MOs

Info

ID:	231932
PubChem CID:	87574942
Reduced:	ClN2F4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	403.177503
ΔH_f, kcal/mol:	-161.57
Dipole, Da:	5.69
IP(EA), eV:	-9.43(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C(C)(CCN)C(CC2=CC(=NC3=CC=CC=C32)Cl)C(F)(F)F

DOS

IR

Vibrations