Geometry & MOs

Info

ID:	30934
PubChem CID:	853825
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-113.9
Dipole, Da:	2.87
IP(EA), eV:	-9.31(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-[(4-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)C(=O)NC2=CN=CC=C2)C(=O)O

DOS

IR

Vibrations