Geometry & MOs

Info

ID:	417095
PubChem CID:	135091359
Reduced:	FN5O5C31H32 (1)
Stoich.:	AB5C5D31E32 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	-152.68
Dipole, Da:	9.67
IP(EA), eV:	-8.62(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C2C=CC(=C1)C(=O)NCCCN(CCCC(=O)NCC3=C(O2)C=CC=C3F)C(=O)CC4=C5C=CC=CC5=NN4

DOS

IR

Vibrations