Geometry & MOs

Info

ID:	47790
PubChem CID:	10535294
Reduced:	NO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	179.08071
ΔH_f, kcal/mol:	-48.76
Dipole, Da:	1.14
IP(EA), eV:	-8.3(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-propyl-1H-tetrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC(=C2)CO

DOS

IR

Vibrations