Geometry & MOs

Info

ID:	110643
PubChem CID:	50333625
Reduced:	N5O5C31H43 (1)
Stoich.:	A5B5C31D43 (1)
Weight, g/mol:	535.315855
ΔH_f, kcal/mol:	-203.29
Dipole, Da:	4.12
IP(EA), eV:	-8.36(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NCC(C)C

DOS

IR

Vibrations