Geometry & MOs

Info

ID:	407738
PubChem CID:	135080493
Reduced:	NOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	202.156895
ΔH_f, kcal/mol:	1.43
Dipole, Da:	2.87
IP(EA), eV:	-9.08(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutyl 5-hydroxyhexanoate

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=CC=C1)N(C)CC=C

DOS

IR

Vibrations