Geometry & MOs

Info

ID:	27516
PubChem CID:	821768
Reduced:	BrOC17H17 (1)
Stoich.:	ABC17D17 (1)
Weight, g/mol:	346.040646
ΔH_f, kcal/mol:	-7.79
Dipole, Da:	2.72
IP(EA), eV:	-9.49(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-N-[(1R)-2,2,2-trichloro-1-pyrrolidin-1-ylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations