Geometry & MOs

Info

ID:	435923
PubChem CID:	135192790
Reduced:	N5C22H29 (1)
Stoich.:	A5B22C29 (1)
Weight, g/mol:	448.219844
ΔH_f, kcal/mol:	121.65
Dipole, Da:	6.1
IP(EA), eV:	-8.09(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-cyclopropyl-5-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N)C2=CN(C(=N2)C3CC3)C45CC(C4)(C5)N6CCCCC6

DOS

IR

Vibrations