Geometry & MOs

Info

ID:	192158
PubChem CID:	78234377
Reduced:	O3N4C25H38 (1)
Stoich.:	A3B4C25D38 (1)
Weight, g/mol:	476.255419
ΔH_f, kcal/mol:	-145.77
Dipole, Da:	4.03
IP(EA), eV:	-8.65(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-1-[(5,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea

Drug info:

PubChemData

Smile

CC1CCC(C2C1CC(C(=O)N2)CN(CCN3CCOCC3)C(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations