Geometry & MOs

Info

ID:	442741
PubChem CID:	135256020
Reduced:	N4C9H14 (1)
Stoich.:	A4B9C14 (1)
Weight, g/mol:	428.187321
ΔH_f, kcal/mol:	62.37
Dipole, Da:	2.63
IP(EA), eV:	-9.42(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-amino-6-[1-[(6-tert-butylpyridin-2-yl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC(=N1)CN=NN

DOS

IR

Vibrations