Geometry & MOs

Info

ID:	233464
PubChem CID:	90944711
Reduced:	O4N5C23H31 (1)
Stoich.:	A4B5C23D31 (1)
Weight, g/mol:	501.215173
ΔH_f, kcal/mol:	-113.3
Dipole, Da:	7.75
IP(EA), eV:	-8.83(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-1-[[4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]urea

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O)NC2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations