Geometry & MOs

Info

ID:	106624
PubChem CID:	50171022
Reduced:	ClN2O2C13H15 (2)
Stoich.:	AB2C2D13E15 (2)
Weight, g/mol:	500.223512
ΔH_f, kcal/mol:	-152.69
Dipole, Da:	7.93
IP(EA), eV:	-8.95(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)Cl

DOS

IR

Vibrations