Geometry & MOs

Info

ID:	383120
PubChem CID:	134974670
Reduced:	N5O5C27H31 (1)
Stoich.:	A5B5C27D31 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-139.93
Dipole, Da:	6.01
IP(EA), eV:	-8.74(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-hydroxy-2-(4-methylcyclohex-3-en-1-yl)propyl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C[C@@H](C(=O)NCC1=CN(N=N1)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations