Geometry & MOs

Info

ID:	290622
PubChem CID:	109774852
Reduced:	ION6C22H33 (1)
Stoich.:	ABC6D22E33 (1)
Weight, g/mol:	428.32636
ΔH_f, kcal/mol:	32.58
Dipole, Da:	3.57
IP(EA), eV:	-8.61(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboximidamide

Drug info:

PubChemData

Smile

CCNC(=NCCCN1C=CN=C1)N2CC3C(C2)OCCN3CC4=CC=CC=C4.I

DOS

IR

Vibrations