Geometry & MOs

Info

ID:	272562
PubChem CID:	103747060
Reduced:	BrNF2O2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	281.235479
ΔH_f, kcal/mol:	-159.73
Dipole, Da:	2.95
IP(EA), eV:	-9.56(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxycyclohexyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

COCC1CCCN(C1)C(=O)C2=C(C=C(C=C2F)Br)F

DOS

IR

Vibrations