Geometry & MOs

Info

ID:	342096
PubChem CID:	127264809
Reduced:	N2O4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	285.100108
ΔH_f, kcal/mol:	-80.64
Dipole, Da:	5.88
IP(EA), eV:	-9.28(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(4,5-dimethylfuran-2-carbonyl)amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CC(=O)NC2=CC=C(C=C2)C=CC(=O)O

DOS

IR

Vibrations