Geometry & MOs

Info

ID:	405578
PubChem CID:	135074485
Reduced:	NSO3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	307.069202
ΔH_f, kcal/mol:	-55.03
Dipole, Da:	8.21
IP(EA), eV:	-9.28(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(2-formyl-5-nitrophenyl)cyclopropane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C#CC1=CC=C(C=C1)OC

DOS

IR

Vibrations