Geometry & MOs

Info

ID:	446167
PubChem CID:	135272858
Reduced:	N10C25H26 (1)
Stoich.:	A10B25C26 (1)
Weight, g/mol:	479.254592
ΔH_f, kcal/mol:	185.21
Dipole, Da:	6.53
IP(EA), eV:	-8.76(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-amino-6-[1-[[6-[(1R)-1-piperidin-1-ylpropyl]pyridin-2-yl]methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1C2=CC=CC(=N2)CN3C=C(N=N3)C4=NC(=NC(=C4)C5=CC=CC(=C5)C#N)N)C

DOS

IR

Vibrations