Geometry & MOs

Info

ID:	283009
PubChem CID:	103952713
Reduced:	OSN2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	276.231397
ΔH_f, kcal/mol:	-13.3
Dipole, Da:	3.51
IP(EA), eV:	-8.82(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C(C)(C)O)NCC1=NC(=CS1)C2=CC=CC=C2

DOS

IR

Vibrations