Geometry & MOs

Info

ID:	31945
PubChem CID:	3724300
Reduced:	Cl2O2N3H15C23 (1)
Stoich.:	A2B2C3D15E23 (1)
Weight, g/mol:	443.243359
ΔH_f, kcal/mol:	40.45
Dipole, Da:	7.96
IP(EA), eV:	-9.11(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(pyridin-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C3=C(C=C(C(=C3)C=NC4=CC(=C(C=C4)Cl)Cl)O)OC(=C2C#N)N

DOS

IR

Vibrations