Geometry & MOs

Info

ID:	91090
PubChem CID:	49973229
Reduced:	BrN4O4C29H37 (1)
Stoich.:	AB4C4D29E37 (1)
Weight, g/mol:	512.219033
ΔH_f, kcal/mol:	-154.65
Dipole, Da:	7.79
IP(EA), eV:	-8.68(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4C)Br)C

DOS

IR

Vibrations