Geometry & MOs

Info

ID:	120794
PubChem CID:	50744790
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	397.160183
ΔH_f, kcal/mol:	-33.28
Dipole, Da:	4.56
IP(EA), eV:	-8.32(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C)N2C(=O)C=CC(=N2)C3=CC(=C(C=C3)C)C)C

DOS

IR

Vibrations