Geometry & MOs

Info

ID:	438797
PubChem CID:	135228554
Reduced:	N4O6C29H32 (1)
Stoich.:	A4B6C29D32 (1)
Weight, g/mol:	347.115758
ΔH_f, kcal/mol:	-196.93
Dipole, Da:	10.79
IP(EA), eV:	-8.91(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yl)-4-(cyclopropanecarbonyl)-2-phenyl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C4=CN=C(N=C4)N5CCC(CC5)C(=O)O

DOS

IR

Vibrations