Geometry & MOs

Info

ID:	263534
PubChem CID:	103376236
Reduced:	NSO2C10H17 (1)
Stoich.:	ABC2D10E17 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-88.55
Dipole, Da:	1.77
IP(EA), eV:	-8.95(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxypropoxy)-2-(4-methylphenyl)acetonitrile

Drug info:

PubChemData

Smile

CC1CC(CS1)(C#N)OC(C)C(C)O

DOS

IR

Vibrations