Geometry & MOs

Info

ID:	43747
PubChem CID:	10321731
Reduced:	ON4H11C12 (2)
Stoich.:	AB4C11D12 (2)
Weight, g/mol:	454.209279
ΔH_f, kcal/mol:	105.19
Dipole, Da:	9.13
IP(EA), eV:	-9.31(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile

Drug info:

PubChemData

Smile

CCCC1=C(C2=NC(=NN2C(=N1)C)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

DOS

IR

Vibrations