Geometry & MOs

Info

ID:	192142
PubChem CID:	78233509
Reduced:	O2F3N3C22H28 (1)
Stoich.:	A2B3C3D22E28 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-237.17
Dipole, Da:	4.93
IP(EA), eV:	-9.18(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC2C(C1)CC(C(=O)N2)CN(C3CC3)C(=O)NC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations