Geometry & MOs

Info

ID:	264462
PubChem CID:	103463239
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	298.225643
ΔH_f, kcal/mol:	-129.44
Dipole, Da:	2.22
IP(EA), eV:	-9.05(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylbutylcarbamoylamino)-4-ethylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)(C)CNC(=O)N1C(CC2=CC=CC=C21)C(=O)O

DOS

IR

Vibrations