Geometry & MOs

Info

ID:	247065
PubChem CID:	103067148
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	23.31
Dipole, Da:	7.95
IP(EA), eV:	-9.46(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-methoxy-4-nitrophenoxy)methyl]prop-2-enyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)OCC(=C)CNC2CC2)[N+](=O)[O-]

DOS

IR

Vibrations