Geometry & MOs

Info

ID:	309775
PubChem CID:	126558149
Reduced:	O5C26H42 (1)
Stoich.:	A5B26C42 (1)
Weight, g/mol:	111.068414
ΔH_f, kcal/mol:	-280.05
Dipole, Da:	2.37
IP(EA), eV:	-9.54(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-[(2E)-2-methylpenta-2,4-dienylidene]hydroxylamine

Drug info:

PubChemData

Smile

CC(C)OC(=O)CCCCCC[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](CCC2=CC=CC=C2)O)O)O

DOS

IR

Vibrations