Geometry & MOs

Info

ID:	241867
PubChem CID:	96024436
Reduced:	NC18H23 (1)
Stoich.:	AB18C23 (1)
Weight, g/mol:	253.18305
ΔH_f, kcal/mol:	37.34
Dipole, Da:	2.16
IP(EA), eV:	-8.52(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2[C@@H]3C[C@H]4C[C@@H]3C=C4)C=C1)C

DOS

IR

Vibrations