Geometry & MOs

Info

ID:	435276
PubChem CID:	135187462
Reduced:	ON2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	400.178693
ΔH_f, kcal/mol:	-10.57
Dipole, Da:	7.36
IP(EA), eV:	-9.13(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,5R,8aS)-2-[(3-methoxyphenyl)methyl]-5-methyl-1,6-dioxo-8a-phenyl-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)C

DOS

IR

Vibrations