Geometry & MOs

Info

ID:	53324
PubChem CID:	14710400
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	214.19328
ΔH_f, kcal/mol:	-101.72
Dipole, Da:	4.61
IP(EA), eV:	-8.6(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylbutyl heptanoate

Drug info:

PubChemData

Smile

CC(=O)N1C2C3CCC(C2C4=CC=CC=C41)C(=C3)OC(=O)C

DOS

IR

Vibrations