Geometry & MOs

Info

ID:	192119
PubChem CID:	78231592
Reduced:	FO3N4C25H31 (1)
Stoich.:	AB3C4D25E31 (1)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	-143.45
Dipole, Da:	7.73
IP(EA), eV:	-8.65(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-[(6-ethoxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CCOC1CCC2C(C1)CC(C(=O)N2)CN(CC3=CN=CC=C3)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations