Geometry & MOs

Info

ID:	192164
PubChem CID:	78234892
Reduced:	FN2O5H23C27 (1)
Stoich.:	AB2C5D23E27 (1)
Weight, g/mol:	435.252192
ΔH_f, kcal/mol:	-126.14
Dipole, Da:	6.97
IP(EA), eV:	-8.96(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(CC2C=C3C=C4C(=CC3=NC2=O)OCCO4)C(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations