Geometry & MOs

Info

ID:	258891
PubChem CID:	103157353
Reduced:	NOC16H31 (1)
Stoich.:	ABC16D31 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-100.33
Dipole, Da:	3.24
IP(EA), eV:	-9.05(2.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)CCNCC(CC2CCCC2)O

DOS

IR

Vibrations