Geometry & MOs

Info

ID:	442808
PubChem CID:	135256356
Reduced:	N2C9H12 (1)
Stoich.:	A2B9C12 (1)
Weight, g/mol:	466.153558
ΔH_f, kcal/mol:	50.24
Dipole, Da:	5.37
IP(EA), eV:	-9.91(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-amino-6-[1-[[6-(methoxymethyl)pyridin-2-yl]methyl]triazol-4-yl]pyrimidin-4-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)C1=CN=NC=C1C=C

DOS

IR

Vibrations