Geometry & MOs

Info

ID:	247064
PubChem CID:	103067143
Reduced:	Cl2N2O3C12H14 (1)
Stoich.:	A2B2C3D12E14 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-25.35
Dipole, Da:	7.21
IP(EA), eV:	-9.41(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(6-methyl-2-nitropyridin-3-yl)oxymethyl]prop-2-enyl]cyclopropanamine

Drug info:

PubChemData

Smile

CCNCC(=C)COC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl

DOS

IR

Vibrations