Geometry & MOs

Info

ID:	399568
PubChem CID:	135040941
Reduced:	O5C24H38 (1)
Stoich.:	A5B24C38 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-188.49
Dipole, Da:	1.56
IP(EA), eV:	-9.3(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-but-2-enyl]-N,4-dimethylbenzeneamine oxide

Drug info:

PubChemData

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C[C@@]1(CC(OO1)(C)CCCCCCCCCCC2=CC=CC=C2)[C@H](C(=O)OC)O

DOS

IR

Vibrations