Geometry & MOs

Info

ID:	172038
PubChem CID:	75457708
Reduced:	NO5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	447.127359
ΔH_f, kcal/mol:	-213.32
Dipole, Da:	1.06
IP(EA), eV:	-8.83(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-chloropyridin-2-yl)methyl]-N-[8-(difluoromethoxy)quinolin-5-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCC(=O)NCC(C)(C(=O)OC)O

DOS

IR

Vibrations