Geometry & MOs

Info

ID:	78725
PubChem CID:	49703941
Reduced:	N4O4C23H24 (1)
Stoich.:	A4B4C23D24 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-60.63
Dipole, Da:	2.64
IP(EA), eV:	-9.22(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)-N-(pyridin-3-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)N3C(=O)C=CC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations