Geometry & MOs

Info

ID:	183355
PubChem CID:	77011694
Reduced:	N2O3H14C16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-60.42
Dipole, Da:	8.63
IP(EA), eV:	-9.12(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(butylcarbamoylamino)-2-methylphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CN=CC=C2)C=CC(=O)O

DOS

IR

Vibrations