Geometry & MOs

Info

ID:	182280
PubChem CID:	76870666
Reduced:	FN2O3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	-134.31
Dipole, Da:	5.48
IP(EA), eV:	-8.75(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[(1-benzylpiperidine-3-carbonyl)amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C2CCCN(C2)CC3=CC(=CC=C3)F

DOS

IR

Vibrations