Geometry & MOs

Info

ID:	154081
PubChem CID:	56313468
Reduced:	FO2N4H17C23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	428.164854
ΔH_f, kcal/mol:	27.21
Dipole, Da:	6.82
IP(EA), eV:	-9.18(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)N4C=CN=C4

DOS

IR

Vibrations