Geometry & MOs

Info

ID:	138520
PubChem CID:	52379156
Reduced:	ON4C23H30 (1)
Stoich.:	AB4C23D30 (1)
Weight, g/mol:	379.249787
ΔH_f, kcal/mol:	-1.9
Dipole, Da:	1.57
IP(EA), eV:	-8.44(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(2-amino-2-oxoethyl)-2-methylindol-3-yl]methyl-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1CC(=O)N)CN[C@@H](CC(C)(C)C)C3=CN=CC=C3

DOS

IR

Vibrations