Geometry & MOs

Info

ID:	435274
PubChem CID:	135187457
Reduced:	ON4C17H20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	33.61
Dipole, Da:	6.67
IP(EA), eV:	-9.18(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,5S,8aS)-5-methyl-1,6-dioxo-8a-phenyl-2-propan-2-yl-3,4,4a,5-tetrahydroisoquinoline-7-carbonitrile

Drug info:

PubChemData

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C[C@@]12CN(CC[C@H]1C(C(=O)C(=C2)C#N)(C)C)C3=NC=CC=N3

DOS

IR

Vibrations