Geometry & MOs

Info

ID:	123280
PubChem CID:	50840453
Reduced:	FO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-85.63
Dipole, Da:	1.09
IP(EA), eV:	-8.89(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(azepan-1-yl)-1-oxophthalazin-2-yl]-N-(4-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CN2C3=C(C=CC(=C3)F)C(=O)N2C(C)(C)C

DOS

IR

Vibrations