Geometry & MOs

Info

ID:	337209
PubChem CID:	127256774
Reduced:	O5C23H28 (1)
Stoich.:	A5B23C28 (1)
Weight, g/mol:	294.173213
ΔH_f, kcal/mol:	-214.09
Dipole, Da:	4.35
IP(EA), eV:	-9.78(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-N-[5-(1H-indol-3-yl)pent-1-en-3-yl]hexa-3,5-dienamide

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)C(=O)OC(CC)CC(CC)O)C2=CC=CC=C2C(=O)O

DOS

IR

Vibrations