Geometry & MOs

Info

ID:	106851
PubChem CID:	50179039
Reduced:	N5O5C30H39 (1)
Stoich.:	A5B5C30D39 (1)
Weight, g/mol:	554.18925
ΔH_f, kcal/mol:	-190.68
Dipole, Da:	9.63
IP(EA), eV:	-8.54(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromophenyl)-1-[2-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)N)OC

DOS

IR

Vibrations