Geometry & MOs

Info

ID:	425954
PubChem CID:	135133541
Reduced:	FON5C16H16 (1)
Stoich.:	ABC5D16E16 (1)
Weight, g/mol:	295.14331
ΔH_f, kcal/mol:	29.38
Dipole, Da:	6.25
IP(EA), eV:	-9.34(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[3-(4-methylphenyl)oxetan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2(COC2)NC3=CC(=NC4=NC=NN34)C)F

DOS

IR

Vibrations