Geometry & MOs

Info

ID:	131582
PubChem CID:	51230586
Reduced:	SN3O4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	390.169191
ΔH_f, kcal/mol:	-35.21
Dipole, Da:	6.51
IP(EA), eV:	-9.25(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-oxo-N-[2-(pyrrolidine-1-carbonyl)phenyl]phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C(=O)NCC=C)SC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations