Geometry & MOs

Info

ID:	245609
PubChem CID:	99455594
Reduced:	ClO2N4C21H29 (1)
Stoich.:	AB2C4D21E29 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-54.72
Dipole, Da:	3.56
IP(EA), eV:	-8.9(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)[C@@H](C)CNC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

DOS

IR

Vibrations