Geometry & MOs

Info

ID:	202158
PubChem CID:	79637574
Reduced:	NO3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	377.06002
ΔH_f, kcal/mol:	-128.09
Dipole, Da:	6.21
IP(EA), eV:	-9.15(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-iodopyrazol-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C1)OC2CCCC(C2)(C(=O)O)NC3CC3

DOS

IR

Vibrations