Geometry & MOs

Info

ID:	448581
PubChem CID:	135292078
Reduced:	FC34H41 (1)
Stoich.:	AB34C41 (1)
Weight, g/mol:	469.247775
ΔH_f, kcal/mol:	-13.98
Dipole, Da:	2.81
IP(EA), eV:	-8.73(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclobutyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-quinolin-6-ylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CC(CC(C1C(=C)CC2=CC=CC=C2)C)CC3=CC(=CC(=CC3)C(C)C)C4=CC(=CC=C4)F

DOS

IR

Vibrations