Geometry & MOs

Info

ID:	64758
PubChem CID:	29203956
Reduced:	N3O4C15H21 (1)
Stoich.:	A3B4C15D21 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-81.11
Dipole, Da:	7.18
IP(EA), eV:	-9.46(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-5-nitro-2-pyrrolidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2

DOS

IR

Vibrations