Geometry & MOs

Info

ID:	35476
PubChem CID:	7979926
Reduced:	ClN2O6H13C16 (1)
Stoich.:	AB2C6D13E16 (1)
Weight, g/mol:	304.117155
ΔH_f, kcal/mol:	-113.97
Dipole, Da:	4.43
IP(EA), eV:	-8.49(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]carbamate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations