Geometry & MOs

Info

ID:	208621
PubChem CID:	80554692
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	240.137497
ΔH_f, kcal/mol:	-124.94
Dipole, Da:	9.06
IP(EA), eV:	-8.87(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine

Drug info:

PubChemData

Smile

CC(=CC(=O)NC1=CC=C(C=C1)C(C)(C)C(=O)O)C

DOS

IR

Vibrations