Geometry & MOs

Info

ID:	209757
PubChem CID:	80715218
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	275.115758
ΔH_f, kcal/mol:	-118.92
Dipole, Da:	5.78
IP(EA), eV:	-8.53(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-methyl-3-(oxolan-3-ylcarbamoyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCC1=NC(=C(N1C2CCOC2)N)C(=O)OCC

DOS

IR

Vibrations