Geometry & MOs

Info

ID:	199653
PubChem CID:	79276962
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	269.116427
ΔH_f, kcal/mol:	52.63
Dipole, Da:	2.68
IP(EA), eV:	-9.13(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-cyanoindolizin-2-yl)methyl-prop-2-enylamino]acetic acid

Drug info:

PubChemData

Smile

C=CCNCC1=NC(=NO1)C2CCC3=CC=CC=C3C2

DOS

IR

Vibrations