Geometry & MOs

Info

ID:	212781
PubChem CID:	81061837
Reduced:	N2O3C15H30 (1)
Stoich.:	A2B3C15D30 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-126.13
Dipole, Da:	1.56
IP(EA), eV:	-8.76(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-[2-ethoxyethyl(methyl)carbamoyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCNC(CN(C)CCOCC)(C1CC1)C(=O)OC

DOS

IR

Vibrations