Geometry & MOs

Info

ID:	142374
PubChem CID:	53023039
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	447.22704
ΔH_f, kcal/mol:	-1.38
Dipole, Da:	6.29
IP(EA), eV:	-8.53(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C/C(=C\3/NOC(=N3)CCC(=O)NC4=C(C=CC(=C4)C)C)/C(=O)N=C2C=C1

DOS

IR

Vibrations