Geometry & MOs

Info

ID:	309174
PubChem CID:	126539495
Reduced:	INCl2O3H10C16 (1)
Stoich.:	ABC2D3E10F16 (1)
Weight, g/mol:	316.088164
ΔH_f, kcal/mol:	-39.67
Dipole, Da:	3.53
IP(EA), eV:	-9.51(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-nitro-4-thiophen-3-ylphenyl)ethyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC(=O)C2=C(C=CC(=C2OC)Cl)Cl)I)C#N

DOS

IR

Vibrations