Geometry & MOs

Info

ID:	184814
PubChem CID:	77212641
Reduced:	ON3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	18.69
Dipole, Da:	5.8
IP(EA), eV:	-9.13(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-5,6,7,8-tetrahydro-4aH-phthalazin-1-yl)-N-[2-(propan-2-ylamino)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNCCC2=C3CCCCC3C(=O)N=N2

DOS

IR

Vibrations