Geometry & MOs

Info

ID:	205995
PubChem CID:	80187549
Reduced:	NO3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-135.13
Dipole, Da:	3.97
IP(EA), eV:	-9.3(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylpyrrolidin-1-yl)-[5-(ethylamino)-2-nitrophenyl]methanone

Drug info:

PubChemData

Smile

CN(CC(COC)O)C(=O)C1C2C1CCCC2

DOS

IR

Vibrations