Geometry & MOs

Info

ID:	352987
PubChem CID:	127284079
Reduced:	OCl2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	309.241627
ΔH_f, kcal/mol:	11.92
Dipole, Da:	8.52
IP(EA), eV:	-8.81(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylpropanoyl)-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NN1C2=C(C=CC=C2Cl)Cl)C(=O)NCC3CCN(C3)C

DOS

IR

Vibrations