Geometry & MOs

Info

ID:	401198
PubChem CID:	135050553
Reduced:	NOC18H27 (1)
Stoich.:	ABC18D27 (1)
Weight, g/mol:	108.076258
ΔH_f, kcal/mol:	-45.25
Dipole, Da:	3.92
IP(EA), eV:	-9.26(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCCC(=O)N(C/C=C/C)[C@H](C)C1=CC=CC=C1

DOS

IR

Vibrations