Geometry & MOs

Info

ID:	192734
PubChem CID:	78306408
Reduced:	OSN3C27H41 (1)
Stoich.:	ABC3D27E41 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-70.49
Dipole, Da:	3.71
IP(EA), eV:	-8.36(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-[(6-methylidene-2-oxoquinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1CC(C2C(C1)CC(C(=O)N2)CN(C3CCCCC3)C(=S)NCCC4=CC=CC=C4)C

DOS

IR

Vibrations