Geometry & MOs

Info

ID:	419988
PubChem CID:	135110584
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	411.20591
ΔH_f, kcal/mol:	-128.94
Dipole, Da:	1.77
IP(EA), eV:	-8.98(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=CC2=O)CN3CC[C@H]([C@@](C3)(CC4CC4)C(=O)O)O

DOS

IR

Vibrations