Geometry & MOs

Info

ID:	126861
PubChem CID:	50982300
Reduced:	N2O4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	-158.47
Dipole, Da:	6.39
IP(EA), eV:	-8.38(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(morpholin-4-ylmethyl)phenyl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CCN2CCC[C@H]2C(=O)OC

DOS

IR

Vibrations