Geometry & MOs

Info

ID:	165735
PubChem CID:	74589218
Reduced:	O3N4C15H15 (1)
Stoich.:	A3B4C15D15 (1)
Weight, g/mol:	300.12224
ΔH_f, kcal/mol:	5.06
Dipole, Da:	8.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.775108
Charge, e:	0

Chem-info

IUPAC name:

7-(2-propan-2-yloxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC=C1C2CC(=NC3=NC=NN23)C(=O)[O-]

DOS

IR

Vibrations