Geometry & MOs

Info

ID:	154934
PubChem CID:	56314485
Reduced:	FO3N4C27H27 (1)
Stoich.:	AB3C4D27E27 (1)
Weight, g/mol:	428.164854
ΔH_f, kcal/mol:	-60.15
Dipole, Da:	5.83
IP(EA), eV:	-9.2(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations