Geometry & MOs

Info

ID:	245218
PubChem CID:	99437924
Reduced:	BrO3N4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	373.160183
ΔH_f, kcal/mol:	-65.32
Dipole, Da:	4.85
IP(EA), eV:	-8.94(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoro-2-phenylacetyl)-N-(3-methylphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=NN1C[C@H]2CCOC2)NC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations