Geometry & MOs

Info

ID:	206015
PubChem CID:	80189063
Reduced:	NC4H7 (4)
Stoich.:	AB4C7 (4)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	13.4
Dipole, Da:	3.57
IP(EA), eV:	-8.36(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,3-diethylpyrrolidin-1-yl)methyl]benzoic acid

Drug info:

PubChemData

Smile

CCC1(CCN(C1)C2=NN=C(C=C2)CNC(C)C)CC

DOS

IR

Vibrations