Geometry & MOs

Info

ID:	283228
PubChem CID:	103965945
Reduced:	FNOCl2C16H22 (1)
Stoich.:	ABCD2E16F22 (1)
Weight, g/mol:	282.267114
ΔH_f, kcal/mol:	-116.15
Dipole, Da:	3.85
IP(EA), eV:	-9.27(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[1-(azepan-2-yl)propan-2-ylamino]methyl]cyclohexyl]methanol

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1Cl)F)Cl)NCC2(CCCCC2)CO

DOS

IR

Vibrations