Geometry & MOs

Info

ID:	212271
PubChem CID:	81059966
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-79.61
Dipole, Da:	6.17
IP(EA), eV:	-9.21(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-carbamoyl-2,6-dimethylpyridin-4-yl)amino]cyclopent-2-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCC(CC(C)C)CC(=O)O

DOS

IR

Vibrations