Geometry & MOs

Info

ID:	179567
PubChem CID:	76501047
Reduced:	ClN4O5C39H51 (1)
Stoich.:	AB4C5D39E51 (1)
Weight, g/mol:	390.226705
ΔH_f, kcal/mol:	-198.67
Dipole, Da:	3.72
IP(EA), eV:	-9.23(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl N-[3-[3-(formamidomethyl)-6-propylpyridin-2-yl]-2-oxopiperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C2CC3C(CC2Cl)NC(=O)C(C3OCCC4CCCCN4C(=O)OC(C)(C)C)C5=CC(=CC(=C5)C)C)C6=NC=NO6

DOS

IR

Vibrations