Geometry & MOs

Info

ID:	241762
PubChem CID:	96024180
Reduced:	NC21H27 (1)
Stoich.:	AB21C27 (1)
Weight, g/mol:	293.21435
ΔH_f, kcal/mol:	9.88
Dipole, Da:	1.4
IP(EA), eV:	-8.78(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(4-butylphenyl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)[C@@H]2C3=C(CCN2)C=CC(=C3C)C

DOS

IR

Vibrations