Geometry & MOs

Info

ID:	21644
PubChem CID:	589397
Reduced:	NOC17H17 (1)
Stoich.:	ABC17D17 (1)
Weight, g/mol:	251.131014
ΔH_f, kcal/mol:	6.89
Dipole, Da:	2.78
IP(EA), eV:	-8.9(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,4-dihydroisoquinolin-1-yl)ethyl]phenol

Drug info:

PubChemData

Smile

C1CN=C(C2=CC=CC=C21)CCC3=CC=CC=C3O

DOS

IR

Vibrations