Geometry & MOs

Info

ID:	211921
PubChem CID:	81058821
Reduced:	BrClN2O2C11H14 (1)
Stoich.:	ABC2D2E11F14 (1)
Weight, g/mol:	256.251464
ΔH_f, kcal/mol:	-56.32
Dipole, Da:	4.7
IP(EA), eV:	-9.56(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(aminomethyl)-N,2,3-trimethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=C(N=CC(=C1)Br)Cl

DOS

IR

Vibrations