Geometry & MOs

Info

ID:	135349
PubChem CID:	51857447
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-62.91
Dipole, Da:	5.07
IP(EA), eV:	-8.78(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)O[C@@H](C)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations