Geometry & MOs

Info

ID:	55741
PubChem CID:	17396231
Reduced:	N3O5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	390.169191
ΔH_f, kcal/mol:	-210.57
Dipole, Da:	3.6
IP(EA), eV:	-9.55(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC)C)C(=O)CN2C(=O)C3(CCCC3)NC2=O

DOS

IR

Vibrations