Geometry & MOs

Info

ID:	419708
PubChem CID:	135108748
Reduced:	O2N4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	-70.83
Dipole, Da:	2.12
IP(EA), eV:	-8.82(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)CN2C[C@@H]3CC[C@H](C2)N(C3=O)CC(=O)N(C)C

DOS

IR

Vibrations