Geometry & MOs

Info

ID:	107144
PubChem CID:	50191624
Reduced:	O5N6C35H46 (1)
Stoich.:	A5B6C35D46 (1)
Weight, g/mol:	493.268905
ΔH_f, kcal/mol:	-194.53
Dipole, Da:	8.27
IP(EA), eV:	-8.9(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbamoylphenyl)-1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=C(C=C5)C(=O)NC)C

DOS

IR

Vibrations