Geometry & MOs

Info

ID:	331763
PubChem CID:	127250047
Reduced:	N4O4C23H26 (1)
Stoich.:	A4B4C23D26 (1)
Weight, g/mol:	408.159769
ΔH_f, kcal/mol:	-120.06
Dipole, Da:	6.35
IP(EA), eV:	-9.34(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[6-[(2-fluorophenyl)methyl]pyridin-2-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4)C

DOS

IR

Vibrations