Geometry & MOs

Info

ID:	131530
PubChem CID:	51221984
Reduced:	ON5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	331.049047
ΔH_f, kcal/mol:	40.74
Dipole, Da:	1.84
IP(EA), eV:	-9.09(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dichloro-1-methyl-N-[2-(4-nitroanilino)ethyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2N1CC(=O)NCCCN3C=NC4=CC=CC=C43

DOS

IR

Vibrations