Geometry & MOs

Info

ID:	333093
PubChem CID:	127251517
Reduced:	N4O4C25H28 (1)
Stoich.:	A4B4C25D28 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-86.1
Dipole, Da:	5.95
IP(EA), eV:	-8.84(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[4-[(3-methoxyphenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C=C1)CC(=O)N2CCOC(C2)C3=NC(=CC(=C3)CC4=CC=C(C=C4)OC)C

DOS

IR

Vibrations