Geometry & MOs

Info

ID:	120795
PubChem CID:	50744791
Reduced:	F2O2N3H21C22 (1)
Stoich.:	A2B2C3D21E22 (1)
Weight, g/mol:	397.160183
ΔH_f, kcal/mol:	-107.72
Dipole, Da:	8.4
IP(EA), eV:	-9.13(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-difluorophenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=C(C=C(C=C1)F)F)N2C(=O)C=CC(=N2)C3=CC(=C(C=C3)C)C

DOS

IR

Vibrations