Geometry & MOs

Info

ID:	241106
PubChem CID:	96021180
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	283.112777
ΔH_f, kcal/mol:	41.71
Dipole, Da:	5.47
IP(EA), eV:	-9.22(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(Z)-2-(4-chlorophenyl)ethenyl]-8-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@H](NCC2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations