Geometry & MOs

Info

ID:	65609
PubChem CID:	46386673
Reduced:	ClO2N4H23C24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	385.130553
ΔH_f, kcal/mol:	-8.46
Dipole, Da:	7.57
IP(EA), eV:	-8.45(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=C2C(=C(N(C2=N1)C3=CC=C(C=C3)C)C)C)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations