Geometry & MOs

Info

ID:	343786
PubChem CID:	127266962
Reduced:	FO2N4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	313.226646
ΔH_f, kcal/mol:	-89.53
Dipole, Da:	4.66
IP(EA), eV:	-9.32(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-pyridin-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclohexane-1,4-diamine

Drug info:

PubChemData

Smile

CCOC(=O)C1=NNC(=N1)C(CC(C)C)NCC2=CC(=C(C=C2)F)C

DOS

IR

Vibrations