Geometry & MOs

Info

ID:	333961
PubChem CID:	127252513
Reduced:	ClO3C23H25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-96.48
Dipole, Da:	5.89
IP(EA), eV:	-9.41(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-4-(oxolan-2-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC[C@H]1[C@H](C[C@@H]([C@H](O1)C2=CC=C(C=C2)C(=O)O)C(=C)C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations