Geometry & MOs

Info

ID:	296315
PubChem CID:	117567379
Reduced:	N3C13H19 (1)
Stoich.:	A3B13C19 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	31.19
Dipole, Da:	8.99
IP(EA), eV:	-8.5(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-pyrrolidin-2-ylethylamino)benzoate

Drug info:

PubChemData

Smile

CC(C)(CCNC1=CC=C(C=C1)C#N)CN

DOS

IR

Vibrations