Geometry & MOs

Info

ID:	173758
PubChem CID:	75679636
Reduced:	ON4C20H29 (1)
Stoich.:	AB4C20D29 (1)
Weight, g/mol:	352.202502
ΔH_f, kcal/mol:	2.06
Dipole, Da:	6.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.125061
Charge, e:	1

Chem-info

IUPAC name:

[2-[(5-methoxy-1H-indole-3-carbonyl)amino]-1-(4-methylphenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CNC(=O)C2=C3CCCCC3=NN2C)[NH+](C)C

DOS

IR

Vibrations