Geometry & MOs

Info

ID:	192141
PubChem CID:	78233508
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	423.213362
ΔH_f, kcal/mol:	29.23
Dipole, Da:	4.85
IP(EA), eV:	-8.44(-0.98)
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-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=CC2=CC(C(=O)N=C2C=C1)CN(C3CC3)C(=O)NC4=CC(=CC=C4)OC

DOS

IR

Vibrations