Geometry & MOs

Info

ID:	182877
PubChem CID:	76948733
Reduced:	NOC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-99.08
Dipole, Da:	2.26
IP(EA), eV:	-9.26(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-2-(4-methyl-2-nitropent-1-enyl)benzene

Drug info:

PubChemData

Smile

C1CC(COC1)C(=O)N2CCC3C2CNC3

DOS

IR

Vibrations