Geometry & MOs

Info

ID:	227082
PubChem CID:	87560121
Reduced:	ON3C31H39 (1)
Stoich.:	AB3C31D39 (1)
Weight, g/mol:	529.207608
ΔH_f, kcal/mol:	41.89
Dipole, Da:	2.8
IP(EA), eV:	-8.63(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[[benzyl(ethyl)carbamoyl]oxymethyl]-4-methoxy-3-phenyl-6-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1/C=C/C(=O)C2=CC=CC=C2CN(C)C)N(C)CCCN(C)C)C3=CC=CC=C3

DOS

IR

Vibrations