Geometry & MOs

Info

ID:	140579
PubChem CID:	52722443
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	450.215472
ΔH_f, kcal/mol:	-105.51
Dipole, Da:	3.06
IP(EA), eV:	-7.72(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[4-[[(3R)-1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)NC(=O)[C@H]2CCCN(C2)C(=O)CCOC3=CC=CC=C3

DOS

IR

Vibrations