Geometry & MOs

Info

ID:	436133
PubChem CID:	135194050
Reduced:	ClON5C27H28 (1)
Stoich.:	ABC5D27E28 (1)
Weight, g/mol:	570.200938
ΔH_f, kcal/mol:	44.67
Dipole, Da:	5.62
IP(EA), eV:	-8.31(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-ethyl-1-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]indole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(N2C=C(C=CC2=N1)Cl)C(=O)NCC3=CC=C(C=C3)C4CCN(CC4)C5=CN=CC=C5

DOS

IR

Vibrations