Geometry & MOs

Info

ID:	221457
PubChem CID:	85273726
Reduced:	N3O3H15C17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	309.136493
ΔH_f, kcal/mol:	-8.51
Dipole, Da:	6.29
IP(EA), eV:	-9.64(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-3-phenylprop-2-enoyl)amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCON=CC3=CC=NC=C3

DOS

IR

Vibrations