Geometry & MOs

Info

ID:	74107
PubChem CID:	48421470
Reduced:	O3N4C16H24 (1)
Stoich.:	A3B4C16D24 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-42.54
Dipole, Da:	6.88
IP(EA), eV:	-8.69(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[3-(2,5-dimethylpyrrolidin-1-yl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCC(N1C2CCCN(C2)C(=O)C3=CC(=CN3)[N+](=O)[O-])C

DOS

IR

Vibrations