Geometry & MOs

Info

ID:	396975
PubChem CID:	135029530
Reduced:	O4N6C25H34 (1)
Stoich.:	A4B6C25D34 (1)
Weight, g/mol:	222.100442
ΔH_f, kcal/mol:	-35.86
Dipole, Da:	7.5
IP(EA), eV:	-9.55(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbut-3-en-2-yl)-N-(4-nitrophenyl)hydroxylamine

Drug info:

PubChemData

Smile

C[C@@]1(CCN2C=NC3=C2C(=NC=N3)N1O)/C=C/[C@]\4([C@@H]5CCCC6([C@]5(CC/C4=N\O)C)OCCO6)C

DOS

IR

Vibrations