Geometry & MOs

Info

ID:	425953
PubChem CID:	135133536
Reduced:	NPO5C14H28 (1)
Stoich.:	ABC5D14E28 (1)
Weight, g/mol:	313.133888
ΔH_f, kcal/mol:	-314.46
Dipole, Da:	1.81
IP(EA), eV:	-9.25(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CCCCCCCCOP(=O)(O)O)C(=O)/C=C/C

DOS

IR

Vibrations