Geometry & MOs

Info

ID:	425578
PubChem CID:	135126771
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	435.179421
ΔH_f, kcal/mol:	-69.93
Dipole, Da:	6.74
IP(EA), eV:	-8.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-oxo-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CCN(CC2)C3=CC4=C(C=C3C)C(=O)C(=CN4)C(=O)OC

DOS

IR

Vibrations