Geometry & MOs

Info

ID:	207113
PubChem CID:	80348262
Reduced:	BrO2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	277.215413
ΔH_f, kcal/mol:	0.36
Dipole, Da:	1.29
IP(EA), eV:	-9.75(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-N-ethyl-N-[(2-methoxypyridin-3-yl)methyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

CCNC(=O)C1=NN=C(C=C1)OC2=CC(=CC=C2)Br

DOS

IR

Vibrations