Geometry & MOs

Info

ID:	245297
PubChem CID:	99443264
Reduced:	ClOF4N5H18C20 (1)
Stoich.:	ABC4D5E18F20 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-170.74
Dipole, Da:	4.93
IP(EA), eV:	-9.2(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethyl-1H-indol-3-yl)-N-[2-(4-nitroanilino)ethyl]acetamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCCNC3=C(C=C(C=N3)C(F)(F)F)Cl

DOS

IR

Vibrations