Geometry & MOs

Info

ID:	436135
PubChem CID:	135194052
Reduced:	ClON7C25H26 (1)
Stoich.:	ABC7D25E26 (1)
Weight, g/mol:	497.229012
ΔH_f, kcal/mol:	77.67
Dipole, Da:	5.91
IP(EA), eV:	-8.55(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(N2C=C(C=NC2=N1)Cl)C(=O)NCC3=CC=C(C=C3)N4CCN(CC4)C5=CN=CC=C5

DOS

IR

Vibrations