Geometry & MOs

Info

ID:	184199
PubChem CID:	77126446
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	-28.99
Dipole, Da:	1.9
IP(EA), eV:	-8.39(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(C2)CN(C)CCC(=NO)N

DOS

IR

Vibrations