Geometry & MOs

Info

ID:	260737
PubChem CID:	103202136
Reduced:	NO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	279.121906
ΔH_f, kcal/mol:	-22.69
Dipole, Da:	5.14
IP(EA), eV:	-9.0(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(4-methoxy-3-nitrophenoxy)-2-methylpentanenitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)OCCCC#C)[N+](=O)[O-]

DOS

IR

Vibrations