Geometry & MOs

Info

ID:	196308
PubChem CID:	78809754
Reduced:	ClN2O3C20H31 (1)
Stoich.:	AB2C3D20E31 (1)
Weight, g/mol:	330.176585
ΔH_f, kcal/mol:	-137.03
Dipole, Da:	4.13
IP(EA), eV:	-8.74(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)C2=CC(=C(C(=C2)Cl)OCC(C)C)OC

DOS

IR

Vibrations