Geometry & MOs

Info

ID:	378376
PubChem CID:	134224455
Reduced:	NC21H45 (1)
Stoich.:	AB21C45 (1)
Weight, g/mol:	211.157229
ΔH_f, kcal/mol:	-103.59
Dipole, Da:	2.09
IP(EA), eV:	-9.15(3.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[(hexylamino)methylidene]-5-methyloxolan-2-one

Drug info:

PubChemData

Smile

CCC(C(CCC(CC(C)(C)C)CC(C)(C)C)C(C)(C)C)N

DOS

IR

Vibrations