Geometry & MOs

Info

ID:	28780
PubChem CID:	829594
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	348.133474
ΔH_f, kcal/mol:	-61.5
Dipole, Da:	2.84
IP(EA), eV:	-8.42(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (7R)-5-methyl-7-pyridin-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@H](CC=C1)C(=O)NC2=CC=C(C=C2)O

DOS

IR

Vibrations