Geometry & MOs

Info

ID:	435913
PubChem CID:	135192757
Reduced:	OF3N3C17H18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	450.224261
ΔH_f, kcal/mol:	-100.85
Dipole, Da:	5.15
IP(EA), eV:	-9.06(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-[6-methyl-5-(trifluoromethyl)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)C2=CN(C(=N2)[C@H](C)O)C34CC(C3)C4)C(F)(F)F

DOS

IR

Vibrations