Geometry & MOs

Info

ID:	177901
PubChem CID:	76250419
Reduced:	FOSN4H19C23 (1)
Stoich.:	ABCD4E19F23 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	52.43
Dipole, Da:	5.64
IP(EA), eV:	-9.45(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(dimethylamino)pyridin-3-yl]methyl]-3-(3-ethoxy-4-propoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)C=CC2=CC=C(S2)C3=CC=CC=C3F)CN4C=NC=N4

DOS

IR

Vibrations