Geometry & MOs

Info

ID:	91092
PubChem CID:	49973244
Reduced:	NOC7H9 (4)
Stoich.:	ABC7D9 (4)
Weight, g/mol:	546.24539
ΔH_f, kcal/mol:	-144.43
Dipole, Da:	5.29
IP(EA), eV:	-8.7(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations