Geometry & MOs

Info

ID:	90074
PubChem CID:	49966175
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	679.27332
ΔH_f, kcal/mol:	-87.52
Dipole, Da:	5.29
IP(EA), eV:	-9.1(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2,6-dimethylphenyl)-1-[1-[1-[2-methyl-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCCN(C2=O)C3=CC=CC(=C3)C(=O)O

DOS

IR

Vibrations