Geometry & MOs

Info

ID:	128195
PubChem CID:	51034467
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	439.214744
ΔH_f, kcal/mol:	6.94
Dipole, Da:	6.47
IP(EA), eV:	-8.7(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(3E)-3-(3,3-dimethyl-1-phenylbutylidene)-2-oxoindol-1-yl]methyl]benzoate

Drug info:

PubChemData

Smile

CC1(CCCCCOC2=CC=CC(=N2)N=C3C4=C(CN(C4)C1=O)NN3)C

DOS

IR

Vibrations