Geometry & MOs

Info

ID:	179397
PubChem CID:	76476442
Reduced:	SiO2N3C12H23 (1)
Stoich.:	AB2C3D12E23 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-70.61
Dipole, Da:	3.31
IP(EA), eV:	-8.78(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-anilino-4-cyclohexyl-2-hydroxybutanoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1C(C=CCO1)[N-][N+]#N

DOS

IR

Vibrations