Geometry & MOs

Info

ID:	65611
PubChem CID:	46386675
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	384.179755
ΔH_f, kcal/mol:	2.79
Dipole, Da:	10.52
IP(EA), eV:	-8.96(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[(4-ethoxyphenyl)methylamino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CCC2=NC(=C3C(=NOC3=N2)C)N4CCCC4

DOS

IR

Vibrations