Geometry & MOs

Info

ID:	107381
PubChem CID:	50201060
Reduced:	O5N6C29H38 (1)
Stoich.:	A5B6C29D38 (1)
Weight, g/mol:	549.331505
ΔH_f, kcal/mol:	-193.98
Dipole, Da:	5.29
IP(EA), eV:	-9.06(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-methyl-6-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(=O)N)C

DOS

IR

Vibrations