Geometry & MOs

Info

ID:	305573
PubChem CID:	124960670
Reduced:	ON6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	435.263425
ΔH_f, kcal/mol:	58.61
Dipole, Da:	3.27
IP(EA), eV:	-8.67(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,4-oxazepane

Drug info:

PubChemData

Smile

C1CO[C@H](CN1CC2=NC=CN2)C3=NC(=CC=C3)NC4=CC=CC=N4

DOS

IR

Vibrations