Geometry & MOs

Info

ID:	120894
PubChem CID:	50749328
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	443.161184
ΔH_f, kcal/mol:	-59.31
Dipole, Da:	4.48
IP(EA), eV:	-8.74(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2,4-dimethoxyphenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)N(CC2=CC(=O)NC3=CC=CC=C32)C(C)C

DOS

IR

Vibrations