Geometry & MOs

Info

ID:	241741
PubChem CID:	96024149
Reduced:	BrNC15H22 (1)
Stoich.:	ABC15D22 (1)
Weight, g/mol:	295.09356
ΔH_f, kcal/mol:	-21.81
Dipole, Da:	4.13
IP(EA), eV:	-7.84(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(1S)-1-bromobutyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CCC[C@H]([C@@H]1C2=C(CCN1)C=C(C(=C2)C)C)Br

DOS

IR

Vibrations