Geometry & MOs

Info

ID:	242036
PubChem CID:	96025184
Reduced:	BrNC14H20 (1)
Stoich.:	ABC14D20 (1)
Weight, g/mol:	281.07791
ΔH_f, kcal/mol:	-17.16
Dipole, Da:	3.57
IP(EA), eV:	-7.97(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H]([C@@H]1C2=C(CCN1)C=CC(=C2C)C)Br

DOS

IR

Vibrations