Geometry & MOs

Info

ID:	66094
PubChem CID:	46491091
Reduced:	BrO2N3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	406.213554
ΔH_f, kcal/mol:	-47.28
Dipole, Da:	4.2
IP(EA), eV:	-8.86(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)NC(C)C3=CC=CC=N3)Br

DOS

IR

Vibrations