Geometry & MOs

Info

ID:	241738
PubChem CID:	96024138
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	295.09356
ΔH_f, kcal/mol:	12.75
Dipole, Da:	4.28
IP(EA), eV:	-8.79(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(1S)-1-bromobutyl]-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations