Geometry & MOs

Info

ID:	26375
PubChem CID:	645557
Reduced:	SN3O4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	291.148396
ΔH_f, kcal/mol:	-61.35
Dipole, Da:	3.41
IP(EA), eV:	-8.84(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-imidazol-1-ylpropylamino)-8-methylquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations