Geometry & MOs

Info

ID:	34571
PubChem CID:	7978681
Reduced:	ClN3O5C19H22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-158.96
Dipole, Da:	7.16
IP(EA), eV:	-8.8(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(adamantane-1-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)Cl

DOS

IR

Vibrations