Geometry & MOs

Info

ID:	184812
PubChem CID:	77212639
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	333.16079
ΔH_f, kcal/mol:	-43.0
Dipole, Da:	7.74
IP(EA), eV:	-8.81(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(4-methylphenyl)methylamino]ethyl]-6,7,8,8a-tetrahydro-5H-phthalazin-1-one;hydrochloride

Drug info:

PubChemData

Smile

CC1(CC(C(=O)C(C1)(C)C=CC2=CC=C(C=C2)O)C#N)C

DOS

IR

Vibrations