Geometry & MOs

Info

ID:	209431
PubChem CID:	80672253
Reduced:	BrNSO3C12H24 (1)
Stoich.:	ABCD3E12F24 (1)
Weight, g/mol:	317.13543
ΔH_f, kcal/mol:	-155.62
Dipole, Da:	4.38
IP(EA), eV:	-9.82(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-N-cyclohexyl-3-methoxycyclohexan-1-amine

Drug info:

PubChemData

Smile

CN(CC(COC)Br)S(=O)(=O)CC1CCCCC1

DOS

IR

Vibrations