Geometry & MOs

Info

ID:	197174
PubChem CID:	78932717
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	266.141913
ΔH_f, kcal/mol:	-86.06
Dipole, Da:	2.58
IP(EA), eV:	-8.98(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(1S)-1-aminopropyl]phenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)OC1=CC=C(C=C1)[C@H](C)N

DOS

IR

Vibrations