Geometry & MOs

Info

ID:	241754
PubChem CID:	96024165
Reduced:	NC10H11 (2)
Stoich.:	AB10C11 (2)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	44.55
Dipole, Da:	4.19
IP(EA), eV:	-8.86(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-7,8-dimethyl-1-(3-methyl-2-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

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CC1=CC2=C(C=C1C)[C@H](NCC2)C3=CC(=CC=C3)[C@@H](C)C#N

DOS

IR

Vibrations