Geometry & MOs

Info

ID:	108298
PubChem CID:	50240355
Reduced:	O4N5C35H41 (1)
Stoich.:	A4B5C35D41 (1)
Weight, g/mol:	581.300205
ΔH_f, kcal/mol:	-130.24
Dipole, Da:	4.72
IP(EA), eV:	-8.73(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations