Geometry & MOs

Info

ID:	198926
PubChem CID:	79173006
Reduced:	N3O4C12H15 (1)
Stoich.:	A3B4C12D15 (1)
Weight, g/mol:	243.021769
ΔH_f, kcal/mol:	-86.51
Dipole, Da:	9.86
IP(EA), eV:	-9.57(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1[N+](=O)[O-])N2CCCC2CC(=O)O

DOS

IR

Vibrations