Geometry & MOs

Info

ID:	95804
PubChem CID:	50015234
Reduced:	ClO4N5C31H42 (1)
Stoich.:	AB4C5D31E42 (1)
Weight, g/mol:	551.310769
ΔH_f, kcal/mol:	-174.78
Dipole, Da:	11.32
IP(EA), eV:	-8.65(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations