Geometry & MOs

Info

ID:	180149
PubChem CID:	76585877
Reduced:	N3O4C30H39 (1)
Stoich.:	A3B4C30D39 (1)
Weight, g/mol:	577.351572
ΔH_f, kcal/mol:	-153.75
Dipole, Da:	10.25
IP(EA), eV:	-8.73(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-[1-(2-ethylhexyl)-2,4,6-trioxo-3-propan-2-yl-1,3-diazinan-5-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butyl prop-2-enoate

Drug info:

PubChemData

Smile

CCCCN1C2=CC=CC=C2C(C1=CC=C3C(=O)N(C(=O)N(C3=O)CCCC(=O)C=C)CCCC)(C)C

DOS

IR

Vibrations