Geometry & MOs

Info

ID:	413680
PubChem CID:	135086629
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	333.136493
ΔH_f, kcal/mol:	-78.14
Dipole, Da:	5.14
IP(EA), eV:	-8.79(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-(3-formyl-1H-indol-2-yl)-5-phenylpent-2-enoate

Drug info:

PubChemData

Smile

CCC/C=C(/C1=C(C2=CC=CC=C2N1)C=O)\C(=O)OC

DOS

IR

Vibrations