Geometry & MOs

Info

ID:	172035
PubChem CID:	75456496
Reduced:	ClON5C21H36 (1)
Stoich.:	ABC5D21E36 (1)
Weight, g/mol:	337.215413
ΔH_f, kcal/mol:	-46.86
Dipole, Da:	4.33
IP(EA), eV:	-8.3(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1-benzylpyrrolidin-3-yl)-ethylamino]methyl]benzamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)N2CCC(CC2)(C)CN3CCN(CC3)C)Cl

DOS

IR

Vibrations