Geometry & MOs

Info

ID:	343865
PubChem CID:	127267041
Reduced:	O2N5H15C16 (1)
Stoich.:	A2B5C15D16 (1)
Weight, g/mol:	341.131031
ΔH_f, kcal/mol:	90.95
Dipole, Da:	4.76
IP(EA), eV:	-9.06(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-dimethyl-3-[methyl-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)amino]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)N2CC(C2)NC3=CC=CC(=C3)C#N)[N+](=O)[O-]

DOS

IR

Vibrations