Geometry & MOs

Info

ID:	165527
PubChem CID:	74561236
Reduced:	FO2N7C28H40 (1)
Stoich.:	AB2C7D28E40 (1)
Weight, g/mol:	527.264488
ΔH_f, kcal/mol:	-67.84
Dipole, Da:	2.9
IP(EA), eV:	-8.21(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methylidene]-6,8-dimethylquinolin-2-one

Drug info:

PubChemData

Smile

CC1CC(C2C(C1)CC(C(=O)N2)C(C3=NN=NN3CC4CCCO4)N5CCN(CC5)C6=CC=CC=C6F)C

DOS

IR

Vibrations