Geometry & MOs

Info

ID:	308013
PubChem CID:	125311778
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	386.103335
ΔH_f, kcal/mol:	8.56
Dipole, Da:	5.56
IP(EA), eV:	-9.32(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-6-(4-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]-4H-pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(C2)C(=O)N3CCN(CC3)C(=O)CCC4=CC=CC=C4

DOS

IR

Vibrations