Geometry & MOs

Info

ID:	192166
PubChem CID:	78234973
Reduced:	O2N3H25C26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	417.241627
ΔH_f, kcal/mol:	8.71
Dipole, Da:	6.73
IP(EA), eV:	-8.54(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-[(8-methyl-2-oxo-3H-quinolin-3-yl)methyl]-1-[(4-methylphenyl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC2C=C3C=CC=C(C3=NC2=O)C)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations