Geometry & MOs

Info

ID:	178234
PubChem CID:	76298864
Reduced:	BrO4N6H12C14 (1)
Stoich.:	AB4C6D12E14 (1)
Weight, g/mol:	464.217203
ΔH_f, kcal/mol:	1.05
Dipole, Da:	15.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.938560
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[benzyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-1-(2-methoxyethyl)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CN1C2=NC=[N+](C2C(=O)N(C1=O)CC(=O)N=C3C=C(C=NC3=O)Br)C

DOS

IR

Vibrations