Geometry & MOs

Info

ID:	406234
PubChem CID:	135076983
Reduced:	NC10H19 (1)
Stoich.:	AB10C19 (1)
Weight, g/mol:	262.180704
ΔH_f, kcal/mol:	0.82
Dipole, Da:	3.69
IP(EA), eV:	-10.71(2.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-tert-butyl-2-(4-methoxyphenyl)-2-propan-2-yloxyacetonitrilium

Drug info:

PubChemData

Smile

CCC(C)(C)CC(C)(C)[N+]#[C-]

DOS

IR

Vibrations