Geometry & MOs

Info

ID:	38041
PubChem CID:	8026588
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	342.110338
ΔH_f, kcal/mol:	-96.46
Dipole, Da:	2.95
IP(EA), eV:	-9.32(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC(C)CN(CCC#N)C[C@H](COC1=CC=C(C=C1)C(=O)C)O

DOS

IR

Vibrations