Geometry & MOs

Info

ID:	335600
PubChem CID:	127254462
Reduced:	O3N5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	-70.2
Dipole, Da:	6.99
IP(EA), eV:	-9.05(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-phenylmorpholin-4-yl)methyl]phthalazin-1-one

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2N1C(C)C)NC(=O)C[C@H]3C(=O)NC4=CC=CC=C4C(=O)N3

DOS

IR

Vibrations