Geometry & MOs

Info

ID:	130321
PubChem CID:	51075600
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	228.162649
ΔH_f, kcal/mol:	-121.77
Dipole, Da:	7.39
IP(EA), eV:	-9.51(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-benzylpyrrolidin-1-yl)butanenitrile

Drug info:

PubChemData

Smile

C1CC(N(C1)CC(=O)NC2CCS(=O)(=O)C2)CC3=CC=CC=C3

DOS

IR

Vibrations