Geometry & MOs

Info

ID:	106612
PubChem CID:	50170978
Reduced:	BrO3N4C31H41 (1)
Stoich.:	AB3C4D31E41 (1)
Weight, g/mol:	518.325691
ΔH_f, kcal/mol:	-133.32
Dipole, Da:	5.21
IP(EA), eV:	-9.17(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-(1-phenylethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCCC4)C)C)Br

DOS

IR

Vibrations