Geometry & MOs

Info

ID:	241951
PubChem CID:	96024768
Reduced:	NOC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	253.04661
ΔH_f, kcal/mol:	-25.51
Dipole, Da:	3.27
IP(EA), eV:	-8.59(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(bromomethyl)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)CC3=CC=C(C=C3)O

DOS

IR

Vibrations