Geometry & MOs

Info

ID:	417293
PubChem CID:	135091954
Reduced:	ON3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	-5.76
Dipole, Da:	2.57
IP(EA), eV:	-8.99(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CN2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations