Geometry & MOs

Info

ID:	164748
PubChem CID:	74446433
Reduced:	ClON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	462.245333
ΔH_f, kcal/mol:	13.03
Dipole, Da:	4.87
IP(EA), eV:	-8.38(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C=CC2=C(N(N=C2C)C)Cl

DOS

IR

Vibrations