Geometry & MOs

Info

ID:	241770
PubChem CID:	96024200
Reduced:	NC10H11 (2)
Stoich.:	AB10C11 (2)
Weight, g/mol:	223.112777
ΔH_f, kcal/mol:	40.47
Dipole, Da:	2.38
IP(EA), eV:	-8.38(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1S)-1-chloroethyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2CC3=CNC4=CC=CC=C43)C=C1)C

DOS

IR

Vibrations