Geometry & MOs

Info

ID:	132300
PubChem CID:	51340179
Reduced:	O2F3N3H16C18 (1)
Stoich.:	A2B3C3D16E18 (1)
Weight, g/mol:	276.089878
ΔH_f, kcal/mol:	-171.51
Dipole, Da:	2.64
IP(EA), eV:	-9.06(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-formylphenoxy)methyl]indolizine-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CC(=O)NC3=CC=CC=C3OCC(F)(F)F

DOS

IR

Vibrations