Geometry & MOs

Info

ID:	422304
PubChem CID:	135117603
Reduced:	ClN2O5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-145.41
Dipole, Da:	6.39
IP(EA), eV:	-9.01(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)CC3=CC4=C(C=C3Cl)OCCO4

DOS

IR

Vibrations