Geometry & MOs

Info

ID:	217202
PubChem CID:	85087415
Reduced:	N2O5C18H18 (1)
Stoich.:	A2B5C18D18 (1)
Weight, g/mol:	344.148455
ΔH_f, kcal/mol:	-113.7
Dipole, Da:	10.72
IP(EA), eV:	-8.64(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-benzamido-4-(6-methyl-3-oxo-1,2,4-triazinan-5-ylidene)but-2-enoate

Drug info:

PubChemData

Smile

CC1=CN2C3C(C(=C)C(O3)COC4=CC=C(C=C4)OC)OC2=NC1=O

DOS

IR

Vibrations