Geometry & MOs

Info

ID:	430626
PubChem CID:	135170692
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	-35.18
Dipole, Da:	1.84
IP(EA), eV:	-8.75(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-[[2-(2,3,3-trimethylindol-5-yl)acetyl]amino]propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C1=O)C2=NN(C(=C2)C(C)(C)C)C

DOS

IR

Vibrations