Geometry & MOs

Info

ID:	58349
PubChem CID:	24697931
Reduced:	ON3C12H25 (1)
Stoich.:	AB3C12D25 (1)
Weight, g/mol:	177.078979
ΔH_f, kcal/mol:	-61.01
Dipole, Da:	3.29
IP(EA), eV:	-8.88(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methoxyphenyl)methoxy]acetonitrile

Drug info:

PubChemData

Smile

CCCN(CCC)CC(=O)N1CCNCC1

DOS

IR

Vibrations