Geometry & MOs

Info

ID:	93219
PubChem CID:	49992577
Reduced:	BrO3N4C30H39 (1)
Stoich.:	AB3C4D30E39 (1)
Weight, g/mol:	526.275547
ΔH_f, kcal/mol:	-125.6
Dipole, Da:	3.79
IP(EA), eV:	-8.96(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-difluorophenyl)-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Br)C

DOS

IR

Vibrations