Geometry & MOs

Info

ID:	64967
PubChem CID:	29204267
Reduced:	OSF2N4H14C16 (1)
Stoich.:	ABC2D4E14F16 (1)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	-55.27
Dipole, Da:	1.87
IP(EA), eV:	-9.17(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethylphenyl)-4-oxo-N-(pyridin-3-ylmethyl)butanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N2CC(=O)NCC3=CN=CC=C3)SC(F)F

DOS

IR

Vibrations