Geometry & MOs

Info

ID:	261825
PubChem CID:	103253418
Reduced:	NO3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-149.98
Dipole, Da:	2.92
IP(EA), eV:	-9.29(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2-phenylacetic acid

Drug info:

PubChemData

Smile

CCC1CCC(CC1)(CNC(C2CC2)C(=O)OC)O

DOS

IR

Vibrations