Geometry & MOs

Info

ID:	154063
PubChem CID:	56313448
Reduced:	FO3N4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	438.206719
ΔH_f, kcal/mol:	-101.3
Dipole, Da:	4.72
IP(EA), eV:	-9.21(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations