Geometry & MOs

Info

ID:	418892
PubChem CID:	135107085
Reduced:	Cl2N3O3C14H15 (1)
Stoich.:	A2B3C3D14E15 (1)
Weight, g/mol:	358.157581
ΔH_f, kcal/mol:	-60.31
Dipole, Da:	6.38
IP(EA), eV:	-9.99(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)CCOC)NC(=O)C2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations