Geometry & MOs

Info

ID:	153474
PubChem CID:	56312694
Reduced:	F3O3N4C22H27 (1)
Stoich.:	A3B3C4D22E27 (1)
Weight, g/mol:	434.156575
ΔH_f, kcal/mol:	-224.98
Dipole, Da:	3.32
IP(EA), eV:	-8.2(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC

DOS

IR

Vibrations