Geometry & MOs

Info

ID:	138519
PubChem CID:	52379155
Reduced:	ON4C23H31 (1)
Stoich.:	AB4C23D31 (1)
Weight, g/mol:	378.241962
ΔH_f, kcal/mol:	2.25
Dipole, Da:	4.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.131057
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]methyl]-2-methylindol-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1CC(=O)N)C[NH2+][C@@H](CC(C)(C)C)C3=CN=CC=C3

DOS

IR

Vibrations