Geometry & MOs

Info

ID:	165519
PubChem CID:	74560517
Reduced:	O2N3H13C16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	478.246772
ΔH_f, kcal/mol:	37.47
Dipole, Da:	7.99
IP(EA), eV:	-9.16(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[3-(dimethylazaniumyl)propyl]-4,5-dioxo-2-(4-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]-(4-ethoxy-2-methylphenyl)methanolate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNC2=CC=CC3=C2C(=O)N=NC3=O

DOS

IR

Vibrations