Geometry & MOs

Info

ID:	277031
PubChem CID:	103826355
Reduced:	ON3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	209.152812
ΔH_f, kcal/mol:	-28.81
Dipole, Da:	5.66
IP(EA), eV:	-9.18(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

COC1CCCC(C1)NCC2=CN=CN2

DOS

IR

Vibrations