Geometry & MOs

Info

ID:	93846
PubChem CID:	49997172
Reduced:	BrO3N4C30H39 (1)
Stoich.:	AB3C4D30E39 (1)
Weight, g/mol:	532.341341
ΔH_f, kcal/mol:	-128.68
Dipole, Da:	7.2
IP(EA), eV:	-8.84(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4Br

DOS

IR

Vibrations