Geometry & MOs

Info

ID:	342098
PubChem CID:	127264811
Reduced:	N2O3H14C17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-39.58
Dipole, Da:	6.24
IP(EA), eV:	-9.2(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-3-(3-cyclopropylbut-2-enoylamino)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)O)NC(=O)C=CC2=CC=NC=C2

DOS

IR

Vibrations