Geometry & MOs

Info

ID:	192156
PubChem CID:	78234099
Reduced:	ClN3O3H26C27 (1)
Stoich.:	AB3C3D26E27 (1)
Weight, g/mol:	435.215806
ΔH_f, kcal/mol:	-36.55
Dipole, Da:	2.54
IP(EA), eV:	-8.71(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5,8-dimethyl-2-oxo-3H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=C(C2=NC(=O)C(C=C2C=C1)CN(CC3=CC=CC=C3OC)C(=O)NC4=CC=CC=C4Cl)C

DOS

IR

Vibrations