Geometry & MOs

Info

ID:	423811
PubChem CID:	135120324
Reduced:	ClON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-9.9
Dipole, Da:	3.61
IP(EA), eV:	-8.99(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations