Geometry & MOs

Info

ID:	133822
PubChem CID:	51595664
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	380.233802
ΔH_f, kcal/mol:	-29.89
Dipole, Da:	4.01
IP(EA), eV:	-8.52(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(4-ethoxyphenyl)ethyl]-methyl-[[2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]azanium

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[C@@H](C)N(C)CC2=C(NC3=C2C=CC=N3)[C@@H]4CCCO4

DOS

IR

Vibrations