Geometry & MOs

Info

ID:	159911
PubChem CID:	57298367
Reduced:	N2O3C10H17 (2)
Stoich.:	A2B3C10D17 (2)
Weight, g/mol:	431.074735
ΔH_f, kcal/mol:	-263.84
Dipole, Da:	7.04
IP(EA), eV:	-8.68(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]butanoate

Drug info:

PubChemData

Smile

CN1CCCC(C1)C(=O)NCCOC(=O)C(=O)OCCNC(=O)C2CCCN(C2)C

DOS

IR

Vibrations