Geometry & MOs

Info

ID:	183130
PubChem CID:	76981927
Reduced:	N2O5C14H14 (1)
Stoich.:	A2B5C14D14 (1)
Weight, g/mol:	183.089543
ΔH_f, kcal/mol:	-94.46
Dipole, Da:	6.95
IP(EA), eV:	-9.9(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-2-enoylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CC1C(=O)O)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations