Geometry & MOs

Info

ID:	223995
PubChem CID:	85336704
Reduced:	O2N5C25H29 (1)
Stoich.:	A2B5C25D29 (1)
Weight, g/mol:	433.161326
ΔH_f, kcal/mol:	2.56
Dipole, Da:	2.24
IP(EA), eV:	-8.64(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]phenoxy]pentan-3-yl]imidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=CC=CC=C2C=C1)N=C(N)NC(=O)N3CCN(CC3)C4=CC=CC=C4OC

DOS

IR

Vibrations