Geometry & MOs

Info

ID:	425642
PubChem CID:	135127109
Reduced:	O4N5C30H57 (1)
Stoich.:	A4B5C30D57 (1)
Weight, g/mol:	505.189897
ΔH_f, kcal/mol:	-254.81
Dipole, Da:	9.44
IP(EA), eV:	-8.66(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1-(ethoxymethyl)-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

CCC(C)[C@@H](CCC(=O)N1CCC[C@H]1C[C@H](C)C(=O)NC)N(C)C(=O)C(C(C)C)NC(=O)[C@H](C(C)C)N(C)C

DOS

IR

Vibrations