Geometry & MOs

Info

ID:	186905
PubChem CID:	77503626
Reduced:	SO4N7C22H27 (1)
Stoich.:	AB4C7D22E27 (1)
Weight, g/mol:	535.233188
ΔH_f, kcal/mol:	-37.67
Dipole, Da:	7.51
IP(EA), eV:	-8.6(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(pyrazol-1-ylmethyl)phenyl]methyl 5-methyl-7-(2-phenylmethoxyphenyl)-1,2,3,7-tetrahydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N3CC(CC4=CC=CC=C43)N5C(C6CNNC6N=C5N)N

DOS

IR

Vibrations