Geometry & MOs

Info

ID:	193881
PubChem CID:	78450504
Reduced:	OSN3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	365.156184
ΔH_f, kcal/mol:	21.68
Dipole, Da:	7.6
IP(EA), eV:	-8.44(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)thiourea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=S)NCCC2C=C3C=CC(=C(C3=NC2=O)C)C

DOS

IR

Vibrations