Geometry & MOs

Info

ID:	136125
PubChem CID:	51984045
Reduced:	ClO2N4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	288.220164
ΔH_f, kcal/mol:	-28.87
Dipole, Da:	1.22
IP(EA), eV:	-8.96(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)[C@H](C)NC(=O)[C@H]2CCCN(C2)C3=NN=C(C=C3)Cl

DOS

IR

Vibrations