Geometry & MOs

Info

ID:	156066
PubChem CID:	56368984
Reduced:	N3O5H23C24 (1)
Stoich.:	A3B5C23D24 (1)
Weight, g/mol:	436.09977
ΔH_f, kcal/mol:	-86.65
Dipole, Da:	3.82
IP(EA), eV:	-9.01(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-1-ethylpyrrol-2-yl)-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2CCCN2C(=O)C3=C(C4=CC=CC=C4C=C3)O

DOS

IR

Vibrations