Geometry & MOs

Info

ID:	435908
PubChem CID:	135192741
Reduced:	F3N3C18H20 (1)
Stoich.:	A3B3C18D20 (1)
Weight, g/mol:	445.24533
ΔH_f, kcal/mol:	-62.76
Dipole, Da:	6.79
IP(EA), eV:	-8.87(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)C2=CN(C(=N2)C(C)C)C34CC(C3)C4)C(F)(F)F

DOS

IR

Vibrations