Geometry & MOs

Info

ID:	188633
PubChem CID:	77745812
Reduced:	N5O5C23H37 (1)
Stoich.:	A5B5C23D37 (1)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-195.56
Dipole, Da:	6.22
IP(EA), eV:	-9.62(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2,3-dimethylphenyl)phenoxy]methyl]-5-(hydroxymethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCCCCCCCCNC1=NC(=O)C2C(=N1)N(C=N2)C3CC(C(O3)COC(=O)C(C)C)O

DOS

IR

Vibrations