Geometry & MOs

Info

ID:	156945
PubChem CID:	56394931
Reduced:	ClO4N5C18H22 (1)
Stoich.:	AB4C5D18E22 (1)
Weight, g/mol:	421.21322
ΔH_f, kcal/mol:	-47.49
Dipole, Da:	10.27
IP(EA), eV:	-8.35(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CN1CCC(=O)NC2CCN(C2)C3=C(C=CC(=C3)Cl)OC)[N+](=O)[O-]

DOS

IR

Vibrations