Geometry & MOs

Info

ID:	184815
PubChem CID:	77212693
Reduced:	O2N4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-56.58
Dipole, Da:	4.41
IP(EA), eV:	-9.04(-1.37)
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-pyrrol-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

CC(C)NCCNC(=O)CC1=C2CCCCC2C(=O)N=N1

DOS

IR

Vibrations