Geometry & MOs

Info

ID:	241720
PubChem CID:	96024090
Reduced:	N2C19H22 (1)
Stoich.:	A2B19C22 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	24.45
Dipole, Da:	3.95
IP(EA), eV:	-8.19(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-phenylacetic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)[C@H]3CC4=CC=CC=C4N3

DOS

IR

Vibrations