Geometry & MOs

Info

ID:	409095
PubChem CID:	135081870
Reduced:	PN3O3C30H34 (1)
Stoich.:	AB3C3D30E34 (1)
Weight, g/mol:	184.065317
ΔH_f, kcal/mol:	-74.35
Dipole, Da:	6.62
IP(EA), eV:	-8.06(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1aS,6aR)-4-methyl-1a,2,3,5,6,6a-hexahydroisophosphindolo[5,6-b]oxirene 4-oxide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/CN(C2)P(=O)(OC4=CC=CC=C4)C)C

DOS

IR

Vibrations