Geometry & MOs

Info

ID:	436192
PubChem CID:	135194436
Reduced:	PO2N3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	344.108993
ΔH_f, kcal/mol:	33.26
Dipole, Da:	7.61
IP(EA), eV:	-9.36(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,5R,8aR)-2-[(3-fluorophenyl)methyl]-5-methyl-1,6-dioxo-8a-phosphanyl-3,4,4a,5-tetrahydroisoquinoline-7-carbonitrile

Drug info:

PubChemData

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CC1([C@H]2CCN(C(=N)[C@@]2(C=C(C1=O)C#N)P)CCOC)C

DOS

IR

Vibrations