Geometry & MOs

Info

ID:	241139
PubChem CID:	96021483
Reduced:	NSC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	201.15175
ΔH_f, kcal/mol:	2.82
Dipole, Da:	3.0
IP(EA), eV:	-8.87(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-methyl-1-(2-methylprop-1-enyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2[C@H](NCCC2=CC=C1)[C@@H](C)S

DOS

IR

Vibrations