Geometry & MOs

Info

ID:	154933
PubChem CID:	56314484
Reduced:	FN4O4C24H27 (1)
Stoich.:	AB4C4D24E27 (1)
Weight, g/mol:	474.206719
ΔH_f, kcal/mol:	-123.4
Dipole, Da:	5.02
IP(EA), eV:	-9.28(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[4-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CN2CCOCC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations