Geometry & MOs

Info

ID:	120796
PubChem CID:	50744792
Reduced:	F2O2N3H21C22 (1)
Stoich.:	A2B2C3D21E22 (1)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	-105.82
Dipole, Da:	6.65
IP(EA), eV:	-9.16(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations