Geometry & MOs

Info

ID:	182724
PubChem CID:	76930733
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	39.99
Dipole, Da:	10.52
IP(EA), eV:	-9.21(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(3-methoxy-2-methylpropyl)carbamoyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1)NC2=CC3=NC(=O)N=C3C=C2

DOS

IR

Vibrations