Geometry & MOs

Info

ID:	205967
PubChem CID:	80184790
Reduced:	NOC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-87.79
Dipole, Da:	1.19
IP(EA), eV:	-9.67(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]ethyl]benzoic acid

Drug info:

PubChemData

Smile

CC(CN(C)C(=O)CC1CCCCO1)C#N

DOS

IR

Vibrations