Geometry & MOs

Info

ID:	193539
PubChem CID:	78404611
Reduced:	F3O3N4C22H29 (1)
Stoich.:	A3B3C4D22E29 (1)
Weight, g/mol:	437.206304
ΔH_f, kcal/mol:	-239.18
Dipole, Da:	6.59
IP(EA), eV:	-8.27(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 7-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,3,7-tetrahydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CC(N3C(=N2)CC(N3)C(=O)NC4CCCCC4)C(F)(F)F)OC

DOS

IR

Vibrations