Geometry & MOs

Info

ID:	121268
PubChem CID:	50761236
Reduced:	FO3N5C15H16 (1)
Stoich.:	AB3C5D15E16 (1)
Weight, g/mol:	375.154269
ΔH_f, kcal/mol:	-36.85
Dipole, Da:	4.11
IP(EA), eV:	-9.54(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-7-(3,4,5-trimethoxyphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(N2C(=N1)N=NN2)C3=CC(=CC=C3)F)C(=O)OCCOC

DOS

IR

Vibrations