Geometry & MOs

Info

ID:	160698
PubChem CID:	57389470
Reduced:	NO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	397.167794
ΔH_f, kcal/mol:	-91.45
Dipole, Da:	3.03
IP(EA), eV:	-9.18(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(1,3-dibenzyl-2-oxoindol-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2NC1=O)/C=C/C(=O)OC

DOS

IR

Vibrations