Geometry & MOs

Info

ID:	300472
PubChem CID:	121286626
Reduced:	BrNOC10H14 (1)
Stoich.:	ABCD10E14 (1)
Weight, g/mol:	335.116444
ΔH_f, kcal/mol:	-34.63
Dipole, Da:	4.34
IP(EA), eV:	-8.3(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-(3-methyl-4-oxo-2,6-dihydroimidazo[5,1-d][1,2,3,5]tetrazin-8-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=CC(=C(C=C1)Br)NC

DOS

IR

Vibrations