Geometry & MOs

Info

ID:	317660
PubChem CID:	126644884
Reduced:	O2N5C25H29 (1)
Stoich.:	A2B5C25D29 (1)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	6.01
Dipole, Da:	2.65
IP(EA), eV:	-8.69(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1S,2S)-2-aminocyclopentyl]oxymethyl]benzonitrile

Drug info:

PubChemData

Smile

CC(=C)C1=CC=CC(=C1)CO[C@H]2CCC[C@@H]2NC(=O)C3=C(N=CC(=C3)C4=CN(N=C4)C)N

DOS

IR

Vibrations