Geometry & MOs

Info

ID:	170313
PubChem CID:	75216154
Reduced:	NO6C25H25 (1)
Stoich.:	AB6C25D25 (1)
Weight, g/mol:	357.197
ΔH_f, kcal/mol:	-132.28
Dipole, Da:	2.81
IP(EA), eV:	-8.09(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]diazaphosphol-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(CC2=CC=CC=C2)C34C=CC(O3)C(=C4C(=O)OC)C(=O)OC

DOS

IR

Vibrations