Geometry & MOs

Info

ID:	134684
PubChem CID:	51738557
Reduced:	ClNOC12H16 (2)
Stoich.:	ABCD12E16 (2)
Weight, g/mol:	386.256943
ΔH_f, kcal/mol:	-108.44
Dipole, Da:	3.17
IP(EA), eV:	-9.26(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-cyclohexyl-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC(=C)C(=O)N(C1CCCCC1)[C@@H](C2=C(C=CC=C2Cl)Cl)C(=O)NC3CCCCC3

DOS

IR

Vibrations