Geometry & MOs

Info

ID:	205926
PubChem CID:	80178356
Reduced:	SN2O2C16H26 (1)
Stoich.:	AB2C2D16E26 (1)
Weight, g/mol:	289.215413
ΔH_f, kcal/mol:	-93.73
Dipole, Da:	4.64
IP(EA), eV:	-8.62(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-aminophenyl)-2-(3,3-diethylpyrrolidin-1-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)N)S(=O)(=O)N2CCC(C2)(CC)CC

DOS

IR

Vibrations