Geometry & MOs

Info

ID:	241982
PubChem CID:	96024926
Reduced:	NC20H23 (1)
Stoich.:	AB20C23 (1)
Weight, g/mol:	288.162649
ΔH_f, kcal/mol:	33.38
Dipole, Da:	1.45
IP(EA), eV:	-8.63(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-[(1R)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-phenylprop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/[C@@H]2C3=C(CCN2)C=C(C(=C3)C)C

DOS

IR

Vibrations