Geometry & MOs

Info

ID:	305571
PubChem CID:	124960628
Reduced:	ON4C17H24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	471.22704
ΔH_f, kcal/mol:	-19.18
Dipole, Da:	4.22
IP(EA), eV:	-8.84(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[(6R)-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C2CCC(=O)N(C2=NC(=N1)[C@H]3CCCNC3)CC4CC4

DOS

IR

Vibrations