Geometry & MOs

Info

ID:	193565
PubChem CID:	78407084
Reduced:	O3N5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	316.123206
ΔH_f, kcal/mol:	-91.12
Dipole, Da:	4.84
IP(EA), eV:	-8.57(0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-(diaminomethylidene)azanium

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC=C1C2C(=O)NC3CC(CCC3N2)C(=O)N4CCN(CC4)C5=CC=CC=C5

DOS

IR

Vibrations