Geometry & MOs

Info

ID:	234586
PubChem CID:	92303118
Reduced:	O3N5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	391.16444
ΔH_f, kcal/mol:	28.46
Dipole, Da:	6.4
IP(EA), eV:	-9.25(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7S)-5-methyl-7-(3-phenylmethoxyphenyl)-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