Geometry & MOs

Info

ID:	90489
PubChem CID:	49970018
Reduced:	BrO3N4C30H39 (1)
Stoich.:	AB3C4D30E39 (1)
Weight, g/mol:	526.275547
ΔH_f, kcal/mol:	-122.97
Dipole, Da:	5.77
IP(EA), eV:	-8.76(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-difluorophenyl)-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Br)C

DOS

IR

Vibrations