Geometry & MOs

Info

ID:	242092
PubChem CID:	96025755
Reduced:	NC21H25 (1)
Stoich.:	AB21C25 (1)
Weight, g/mol:	215.1674
ΔH_f, kcal/mol:	17.08
Dipole, Da:	1.25
IP(EA), eV:	-8.64(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-cyclobutyl-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2CCN[C@@H](C2=C(C=C1)C)[C@H]3CCCC4=CC=CC=C34

DOS

IR

Vibrations