Geometry & MOs

Info

ID:	187077
PubChem CID:	77529142
Reduced:	F3N3O5H16C21 (1)
Stoich.:	A3B3C5D16E21 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-231.19
Dipole, Da:	7.68
IP(EA), eV:	-9.54(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2-oxo-1,3-diazinan-4-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C#N)C2=C3C(=CC=NC3=O)NC(C2C(=O)OCC=C)(C(F)(F)F)O

DOS

IR

Vibrations