Geometry & MOs

Info

ID:	216222
PubChem CID:	85085912
Reduced:	NO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	-52.95
Dipole, Da:	7.74
IP(EA), eV:	-9.67(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-3-phenylpropanoyl)-4-oxoazetidine-2-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CC(=CC2=NC(=CC(=O)C12)C(=O)O)C=C

DOS

IR

Vibrations