Geometry & MOs

Info

ID:	282973
PubChem CID:	103949376
Reduced:	BrNOF2H10C13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	328.272593
ΔH_f, kcal/mol:	-84.99
Dipole, Da:	2.3
IP(EA), eV:	-9.04(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[2-(6-hydroxyhexylamino)cyclohexyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NCC2=C(C=CC(=C2)F)O)Br)F

DOS

IR

Vibrations