Geometry & MOs

Info

ID:	154226
PubChem CID:	56313632
Reduced:	FO3N4C27H27 (1)
Stoich.:	AB3C4D27E27 (1)
Weight, g/mol:	391.169605
ΔH_f, kcal/mol:	-75.36
Dipole, Da:	6.72
IP(EA), eV:	-8.27(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[3-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)NC2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations