Geometry & MOs

Info

ID:	192747
PubChem CID:	78307853
Reduced:	O4N7C30H43 (1)
Stoich.:	A4B7C30D43 (1)
Weight, g/mol:	515.228102
ΔH_f, kcal/mol:	-91.5
Dipole, Da:	4.02
IP(EA), eV:	-8.49(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(C2C1CC(C(=O)N2)C(C3=NN=NN3CC4CCCO4)N5CCN(CC5)CC6=CC7=C(C=C6)OCO7)C

DOS

IR

Vibrations