Geometry & MOs

Info

ID:	446184
PubChem CID:	135273004
Reduced:	N9H23C25 (1)
Stoich.:	A9B23C25 (1)
Weight, g/mol:	494.254258
ΔH_f, kcal/mol:	219.94
Dipole, Da:	7.16
IP(EA), eV:	-9.01(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-amino-6-[1-[[6-[(1S)-1-cyclohexylethyl]pyridin-2-yl]methyl]triazol-4-yl]pyrimidin-4-yl]-2-methoxybenzonitrile

Drug info:

PubChemData

Smile

C1CN(C1)C2=CC=CC(=N2)CN3C=C(N=N3)C4=NC(=NC(=C4)C5=CC=CC(=C5)C#N)NC6CC6

DOS

IR

Vibrations