Geometry & MOs

Info

ID:	213401
PubChem CID:	81063610
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	315.042899
ΔH_f, kcal/mol:	-115.19
Dipole, Da:	4.96
IP(EA), eV:	-9.03(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2N1CC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations