Geometry & MOs

Info

ID:	435909
PubChem CID:	135192742
Reduced:	F3N5C24H30 (1)
Stoich.:	A3B5C24D30 (1)
Weight, g/mol:	434.229346
ΔH_f, kcal/mol:	-36.59
Dipole, Da:	7.89
IP(EA), eV:	-8.72(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)pyridin-3-yl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)C2=CN(C(=N2)CC3CC3)C45CC(C4)(C5)N6CCN(CC6)C)C(F)(F)F

DOS

IR

Vibrations