Geometry & MOs

Info

ID:	30943
PubChem CID:	853857
Reduced:	ClNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	264.126263
ΔH_f, kcal/mol:	-130.8
Dipole, Da:	7.04
IP(EA), eV:	-9.45(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10bS)-10b-phenyl-1,2,3,4-tetrahydropyrimido[2,1-a]isoindol-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)CCCC(=O)O)Cl

DOS

IR

Vibrations