Geometry & MOs

Info

ID:	234587
PubChem CID:	92303120
Reduced:	O3N5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	315.133139
ΔH_f, kcal/mol:	32.3
Dipole, Da:	7.76
IP(EA), eV:	-9.31(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7S)-7-(2-methoxyphenyl)-5-methyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N=NNN2[C@H]1C3=CC(=CC=C3)OCC4=CC=CC=C4)C

DOS

IR

Vibrations