Geometry & MOs

Info

ID:	241763
PubChem CID:	96024181
Reduced:	NC21H27 (1)
Stoich.:	AB21C27 (1)
Weight, g/mol:	293.21435
ΔH_f, kcal/mol:	5.55
Dipole, Da:	2.35
IP(EA), eV:	-8.73(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(4-butylphenyl)-6,7-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