Geometry & MOs

Info

ID:	306706
PubChem CID:	125165396
Reduced:	OSN4C12H22 (1)
Stoich.:	ABC4D12E22 (1)
Weight, g/mol:	374.118591
ΔH_f, kcal/mol:	-0.77
Dipole, Da:	5.24
IP(EA), eV:	-8.86(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(benzylamino)methyl]-4-(7-chloro-1H-quinolin-4-ylidene)cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1=NN=C(S1)CN(C)C[C@H](C)N2CCOCC2

DOS

IR

Vibrations