Geometry & MOs

Info

ID:	141567
PubChem CID:	52894417
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	411.204573
ΔH_f, kcal/mol:	-94.97
Dipole, Da:	2.13
IP(EA), eV:	-9.12(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)N(C)CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations