Geometry & MOs

Info

ID:	193540
PubChem CID:	78404612
Reduced:	O4N5C23H27 (1)
Stoich.:	A4B5C23D27 (1)
Weight, g/mol:	436.222289
ΔH_f, kcal/mol:	-26.75
Dipole, Da:	4.24
IP(EA), eV:	-8.58(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-methoxy-4-propoxyphenyl)-5-methyl-N-(2-methylphenyl)-1,2,3,7-tetrahydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2C(=C(N=C3N2NNN3)C)C(=O)OCC4=CC=CC=C4)OC

DOS

IR

Vibrations