Geometry & MOs

Info

ID:	38375
PubChem CID:	8034039
Reduced:	NO2F3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	342.180424
ΔH_f, kcal/mol:	-259.58
Dipole, Da:	5.49
IP(EA), eV:	-8.85(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-N-(2-methoxyphenyl)-5-methyl-7-(2-methylpropyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1(C[C@](CCO1)(CCNC[C@@H]2CCCO2)C3=CC(=CC=C3)C(F)(F)F)C

DOS

IR

Vibrations