Geometry & MOs

Info

ID:	122322
PubChem CID:	50802733
Reduced:	N3O3H23C25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	385.182398
ΔH_f, kcal/mol:	2.67
Dipole, Da:	4.16
IP(EA), eV:	-8.43(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[2-methoxyethyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4OC

DOS

IR

Vibrations