Geometry & MOs

Info

ID:	183357
PubChem CID:	77011696
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	-112.95
Dipole, Da:	9.22
IP(EA), eV:	-8.86(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methyl-5-(propan-2-yloxycarbonylamino)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCNC(=O)NC1=CC(=C(C=C1)C)C=CC(=O)O

DOS

IR

Vibrations