Geometry & MOs

Info

ID:	121998
PubChem CID:	50789236
Reduced:	ClO2N5C23H24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	433.21139
ΔH_f, kcal/mol:	-2.02
Dipole, Da:	2.39
IP(EA), eV:	-8.72(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-5-methylphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C=CC(=N2)N3CCN(CC3)C(=O)NC4=C(C=C(C=C4)C)Cl

DOS

IR

Vibrations