Geometry & MOs

Info

ID:	57050
PubChem CID:	22395267
Reduced:	N3C7H18 (2)
Stoich.:	A3B7C18 (2)
Weight, g/mol:	377.269185
ΔH_f, kcal/mol:	-8.88
Dipole, Da:	5.27
IP(EA), eV:	-8.67(2.57)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-hexadecyl-3,4-dihydroxybenzoate

Drug info:

PubChemData

Smile

CCCCNCCNCCNCCNCCNCCN

DOS

IR

Vibrations