Geometry & MOs

Info

ID:	146381
PubChem CID:	53678957
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	228.20893
ΔH_f, kcal/mol:	-52.15
Dipole, Da:	2.0
IP(EA), eV:	-9.18(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl 2-propylpentanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=CC(=CC(=C1)OC2=NC=NC=C2)C3NCCC=N3

DOS

IR

Vibrations