Geometry & MOs

Info

ID:	273
PubChem CID:	2473
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-52.41
Dipole, Da:	4.64
IP(EA), eV:	-8.96(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)NCC(COC1=CC=CC=C1C#N)O

DOS

IR

Vibrations