Geometry & MOs

Info

ID:	182635
PubChem CID:	76916907
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	239.152144
ΔH_f, kcal/mol:	-135.14
Dipole, Da:	2.3
IP(EA), eV:	-10.06(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(but-2-enoylamino)methyl]cyclohexyl]acetic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)O)CNC(=O)C2C=NC(=O)C=N2

DOS

IR

Vibrations