Geometry & MOs

Info

ID:	197560
PubChem CID:	78978521
Reduced:	BrN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	301.128963
ΔH_f, kcal/mol:	-95.78
Dipole, Da:	2.89
IP(EA), eV:	-8.98(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[prop-2-enyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC=C)CC(=O)NC1=CC=CC=C1Br

DOS

IR

Vibrations