Geometry & MOs

Info

ID:	210072
PubChem CID:	80758077
Reduced:	O2N5H13C14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	273.051634
ΔH_f, kcal/mol:	-8.51
Dipole, Da:	8.5
IP(EA), eV:	-9.11(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1NC2=CC3=C(C=C2)C(=O)NC3=O)NC

DOS

IR

Vibrations