Geometry & MOs

Info

ID:	95830
PubChem CID:	50015523
Reduced:	ClO4N5C34H46 (1)
Stoich.:	AB4C5D34E46 (1)
Weight, g/mol:	493.268905
ΔH_f, kcal/mol:	-190.89
Dipole, Da:	4.92
IP(EA), eV:	-8.84(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-carbamoylphenyl)-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C4CCCCC4)Cl

DOS

IR

Vibrations