Geometry & MOs

Info

ID:	166671
PubChem CID:	74723210
Reduced:	N2O4H15C21 (1)
Stoich.:	A2B4C15D21 (1)
Weight, g/mol:	242.1617
ΔH_f, kcal/mol:	16.22
Dipole, Da:	53.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.931236
Charge, e:	1

Chem-info

IUPAC name:

2-[[amino(morpholin-4-ium-4-ylidene)methyl]amino]-6-methyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C=C3CC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)[O-]

DOS

IR

Vibrations