Geometry & MOs

Info

ID:	65610
PubChem CID:	46386674
Reduced:	ClO2N5C19H20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	8.27
Dipole, Da:	6.86
IP(EA), eV:	-8.93(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-3-(3-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NOC2=NC(=NC(=C12)N3CCCC3)CCC(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations