Geometry & MOs

Info

ID:	305995
PubChem CID:	124999963
Reduced:	O4N5C13H15 (1)
Stoich.:	A4B5C13D15 (1)
Weight, g/mol:	445.247775
ΔH_f, kcal/mol:	-110.0
Dipole, Da:	2.8
IP(EA), eV:	-9.13(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]piperidin-4-yl]-N-pyridin-2-ylpyrazin-2-amine

Drug info:

PubChemData

Smile

C1CN(C[C@@]12CC3=C(N=C(N=C3O2)N)N)C(=O)/C=C/C(=O)O

DOS

IR

Vibrations