Geometry & MOs

Info

ID:	91284
PubChem CID:	49974834
Reduced:	N5O5C34H45 (1)
Stoich.:	A5B5C34D45 (1)
Weight, g/mol:	500.223512
ΔH_f, kcal/mol:	-204.02
Dipole, Da:	4.59
IP(EA), eV:	-9.09(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C)C

DOS

IR

Vibrations