Geometry & MOs

Info

ID:	173142
PubChem CID:	75603859
Reduced:	NO7C22H40 (2)
Stoich.:	AB7C22D40 (2)
Weight, g/mol:	307.108754
ΔH_f, kcal/mol:	-707.6
Dipole, Da:	10.48
IP(EA), eV:	-9.21(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-[(4-chlorophenyl)methyl]aziridin-2-yl]methyl]-5-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCCCCNC(=O)OC1C(OC(CC1(C)OC)OC2C(C(C(CC(C(=O)C(C(C(C(OC(=O)C2C)CC)(C)O)O)C)C)(C)OC)OC3C(C(CC(O3)C)N(C)C)O)C)C

DOS

IR

Vibrations