Geometry & MOs

Info

ID:	342499
PubChem CID:	127265654
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	306.100442
ΔH_f, kcal/mol:	-99.86
Dipole, Da:	5.67
IP(EA), eV:	-9.79(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1H-indole-7-carbonylamino)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C(C1=CC=CC=C1)NC(=O)C=C(C)C2CC2)C(=O)O

DOS

IR

Vibrations