Geometry & MOs

Info

ID:	128738
PubChem CID:	51056226
Reduced:	BrN2O3H13C19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	227.138225
ΔH_f, kcal/mol:	-20.8
Dipole, Da:	3.43
IP(EA), eV:	-9.57(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentyl-3-methyl-2,4-dihydro-1,3,5-triazin-6-yl)nitramide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C=C(C=CN2C(=C1)C(=O)C3=CC=C(C=C3)Br)C#N

DOS

IR

Vibrations