Geometry & MOs

Info

ID:	230592
PubChem CID:	87571442
Reduced:	O2N5H13C15 (1)
Stoich.:	A2B5C13D15 (1)
Weight, g/mol:	162.125594
ΔH_f, kcal/mol:	37.12
Dipole, Da:	3.33
IP(EA), eV:	-9.21(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl acetate;hydrate

Drug info:

PubChemData

Smile

CCOC1=NC(=NC2=NC=C(N=C21)C3=CC=CC=C3C=O)N

DOS

IR

Vibrations