Geometry & MOs

Info

ID:	182279
PubChem CID:	76870046
Reduced:	BrClNO4H17C18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	410.200571
ΔH_f, kcal/mol:	-106.55
Dipole, Da:	7.73
IP(EA), eV:	-8.83(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1Cl)C=CC(=O)OC2=C(N=CC=C2)Br)OC

DOS

IR

Vibrations