Geometry & MOs

Info

ID:	193879
PubChem CID:	78450502
Reduced:	OSN3C22H25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	365.156184
ΔH_f, kcal/mol:	28.18
Dipole, Da:	6.98
IP(EA), eV:	-8.6(-1.55)
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-(2-methylphenyl)thiourea

Drug info:

PubChemData

Smile

CC1=C(C2=NC(=O)C(C=C2C=C1)CCNC(=S)NCCC3=CC=CC=C3)C

DOS

IR

Vibrations