Geometry & MOs

Info

ID:	105934
PubChem CID:	50143309
Reduced:	O4N5C31H43 (1)
Stoich.:	A4B5C31D43 (1)
Weight, g/mol:	535.315855
ΔH_f, kcal/mol:	-176.53
Dipole, Da:	7.87
IP(EA), eV:	-8.96(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[2-methyl-5-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations