Geometry & MOs

Info

ID:	260736
PubChem CID:	103202106
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	235.084458
ΔH_f, kcal/mol:	-17.1
Dipole, Da:	6.12
IP(EA), eV:	-8.48(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-2-nitro-4-pent-4-ynoxybenzene

Drug info:

PubChemData

Smile

CCC1=CC(=NC=N1)OC2=CC(=C(C=C2)OC)N

DOS

IR

Vibrations