Geometry & MOs

Info

ID:	21785
PubChem CID:	589913
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	355.153206
ΔH_f, kcal/mol:	-62.3
Dipole, Da:	7.13
IP(EA), eV:	-9.27(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methyl-4-[1-(4-nitrobenzoyl)piperidin-3-yl]-1H-pyrrol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CN1)C2CCCN(C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C

DOS

IR

Vibrations