Geometry & MOs

Info

ID:	159011
PubChem CID:	57244516
Reduced:	SN3O4C18H29 (1)
Stoich.:	AB3C4D18E29 (1)
Weight, g/mol:	244.040341
ΔH_f, kcal/mol:	-192.04
Dipole, Da:	4.2
IP(EA), eV:	-9.42(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-hydroxyphenyl)-2-pyridin-2-ylacetonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N1)C(CC2CCN(CC2)C(=O)OC(C)(C)C)S

DOS

IR

Vibrations