Geometry & MOs

Info

ID:	55660
PubChem CID:	17395750
Reduced:	BrO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	343.157915
ΔH_f, kcal/mol:	-19.59
Dipole, Da:	6.08
IP(EA), eV:	-8.43(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-5-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-6H-1,3,4-thiadiazin-2-amine

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=NOC(=C1)C)NC2=C(C=C(C=C2)Br)C

DOS

IR

Vibrations