Geometry & MOs

Info

ID:	58453
PubChem CID:	24701863
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	214.146999
ΔH_f, kcal/mol:	-61.24
Dipole, Da:	4.49
IP(EA), eV:	-8.46(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-cyclopentylanilino)propanenitrile

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2CSCN2

DOS

IR

Vibrations