Geometry & MOs

Info

ID:	154406
PubChem CID:	56313833
Reduced:	FO3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	431.200905
ΔH_f, kcal/mol:	-67.81
Dipole, Da:	3.58
IP(EA), eV:	-9.24(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1NC(=O)CN2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations