Geometry & MOs

Info

ID:	420979
PubChem CID:	135115154
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	47.31
Dipole, Da:	2.54
IP(EA), eV:	-9.35(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)CC4=NC(=NO4)C5=CC=CO5

DOS

IR

Vibrations