Geometry & MOs

Info

ID:	356718
PubChem CID:	127292199
Reduced:	ClN3O4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-150.8
Dipole, Da:	4.41
IP(EA), eV:	-9.07(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(4-ethylpiperazin-1-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

DOS

IR

Vibrations