Geometry & MOs

Info

ID:	192450
PubChem CID:	78270752
Reduced:	O2N3C18H30 (1)
Stoich.:	A2B3C18D30 (1)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-84.34
Dipole, Da:	4.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.082029
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 4-methylidene-6-(2-methylphenyl)-2-oxo-1,3-diazinane-5-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NCC[NH+](C)C)NC(=O)C1=CC=C(C=C1)C(C)(C)C

DOS

IR

Vibrations