Geometry & MOs

Info

ID:	56116
PubChem CID:	17412938
Reduced:	SO2N6C14H22 (1)
Stoich.:	AB2C6D14E22 (1)
Weight, g/mol:	250.06368
ΔH_f, kcal/mol:	-29.93
Dipole, Da:	1.17
IP(EA), eV:	-9.13(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methoxypyrimidine

Drug info:

PubChemData

Smile

CCCN1C(=O)NN=C1SC(C)C(=O)NC2=CC=NN2C(C)C

DOS

IR

Vibrations