Geometry & MOs

Info

ID:	198842
PubChem CID:	79160656
Reduced:	O2N3C13H23 (1)
Stoich.:	A2B3C13D23 (1)
Weight, g/mol:	340.04226
ΔH_f, kcal/mol:	-109.38
Dipole, Da:	1.61
IP(EA), eV:	-9.29(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-bromo-4-(pyrrolidine-1-carbonylamino)benzoate

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1C(=O)N2CCC(CC2)C

DOS

IR

Vibrations