Geometry & MOs

Info

ID:	315313
PubChem CID:	126625543
Reduced:	NOC21H43 (1)
Stoich.:	ABC21D43 (1)
Weight, g/mol:	139.099714
ΔH_f, kcal/mol:	-127.45
Dipole, Da:	1.23
IP(EA), eV:	-8.53(2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(propan-2-yliminomethyl)but-2-enal

Drug info:

PubChemData

Smile

CCCCCCCC(CCCCCC)N1CCC(OCC1)(C)C

DOS

IR

Vibrations