Geometry & MOs

Info

ID:	241105
PubChem CID:	96021175
Reduced:	NC19H21 (1)
Stoich.:	AB19C21 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	40.69
Dipole, Da:	2.37
IP(EA), eV:	-8.82(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-methyl-1-[(E)-2-(3-nitrophenyl)ethenyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/[C@H]2C3=C(C=CC=C3CCN2)C

DOS

IR

Vibrations