Geometry & MOs

Info

ID:	111094
PubChem CID:	50351937
Reduced:	BrO3N4C28H35 (1)
Stoich.:	AB3C4D28E35 (1)
Weight, g/mol:	516.234825
ΔH_f, kcal/mol:	-114.06
Dipole, Da:	4.17
IP(EA), eV:	-8.81(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)Br)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCCC4

DOS

IR

Vibrations