Geometry & MOs

Info

ID:	244423
PubChem CID:	99350801
Reduced:	N4O4C23H26 (1)
Stoich.:	A4B4C23D26 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-93.9
Dipole, Da:	5.73
IP(EA), eV:	-8.0(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@@H](C2)CNC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

DOS

IR

Vibrations