Geometry & MOs

Info

ID:	85788
PubChem CID:	49879149
Reduced:	SO3N5H17C19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	377.165188
ΔH_f, kcal/mol:	40.68
Dipole, Da:	3.48
IP(EA), eV:	-8.58(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NNC(=N2)CCNC(=O)C3=NOC(=C3)C4=CC=CS4

DOS

IR

Vibrations