Geometry & MOs

Info

ID:	29029
PubChem CID:	831220
Reduced:	NO2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	345.15896
ΔH_f, kcal/mol:	-13.99
Dipole, Da:	4.91
IP(EA), eV:	-8.49(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,8aR)-6-amino-8-(4-methoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=O)NC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations