Geometry & MOs

Info

ID:	59643
PubChem CID:	24891339
Reduced:	NO6C16H23 (1)
Stoich.:	AB6C16D23 (1)
Weight, g/mol:	350.126657
ΔH_f, kcal/mol:	-211.87
Dipole, Da:	2.8
IP(EA), eV:	-8.67(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CN(CC(CO)O)C(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC

DOS

IR

Vibrations