Geometry & MOs

Info

ID:	95809
PubChem CID:	50015263
Reduced:	N5O5C29H39 (1)
Stoich.:	A5B5C29D39 (1)
Weight, g/mol:	549.331505
ΔH_f, kcal/mol:	-195.36
Dipole, Da:	10.84
IP(EA), eV:	-8.42(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-(3,4-dimethylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations