Geometry & MOs

Info

ID:	241948
PubChem CID:	96024749
Reduced:	ClN3C15H16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	295.09356
ΔH_f, kcal/mol:	43.5
Dipole, Da:	3.69
IP(EA), eV:	-8.95(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1S)-1-bromo-2-methylpropyl]-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)C3=CN=C(C=N3)Cl

DOS

IR

Vibrations