Geometry & MOs

Info

ID:	142949
PubChem CID:	53120915
Reduced:	ON3C12H15 (2)
Stoich.:	AB3C12D15 (2)
Weight, g/mol:	454.212867
ΔH_f, kcal/mol:	-12.66
Dipole, Da:	1.71
IP(EA), eV:	-8.99(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=NC3=C2N=CC=C3)CN4CCN(CC4)C(=O)NCC5CCCO5

DOS

IR

Vibrations