Geometry & MOs

Info

ID:	151854
PubChem CID:	56310672
Reduced:	FN2O4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	-172.5
Dipole, Da:	3.32
IP(EA), eV:	-8.58(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[(1-cyanoindolizin-2-yl)methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(COC2=CC=C(C=C2)F)O)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations