Geometry & MOs

Info

ID:	283722
PubChem CID:	104001728
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	282.194343
ΔH_f, kcal/mol:	-119.05
Dipole, Da:	6.46
IP(EA), eV:	-8.88(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyclopropylpropylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CSCCCCNC(=O)N[C@H](C1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations