Geometry & MOs

Info

ID:	418857
PubChem CID:	135106968
Reduced:	ClFNO2C21H21 (1)
Stoich.:	ABCD2E21F21 (1)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	-108.06
Dipole, Da:	5.84
IP(EA), eV:	-9.51(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C[C@@H]2[C@](C1)(C3=CC=CC=C3)O)C(=O)C4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations