Geometry & MOs

Info

ID:	167516
PubChem CID:	74841315
Reduced:	N3O6C23H27 (1)
Stoich.:	A3B6C23D27 (1)
Weight, g/mol:	599.216254
ΔH_f, kcal/mol:	-115.52
Dipole, Da:	4.87
IP(EA), eV:	-8.3(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]methyl]-1-(2-methyl-3-phenylprop-2-enyl)-3-[3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CCC1=CC(=C(C=C1)OC)OC)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations