Geometry & MOs

Info

ID:	436136
PubChem CID:	135194053
Reduced:	O2F3N3C28H30 (1)
Stoich.:	A2B3C3D28E30 (1)
Weight, g/mol:	537.23516
ΔH_f, kcal/mol:	-192.19
Dipole, Da:	4.84
IP(EA), eV:	-8.13(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-1-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]pyrrolo[2,3-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN2C=C(C=C2C1)C(=O)NCC3=CC=C(C=C3)N4CCC(CC4)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations