Geometry & MOs

Info

ID:	137100
PubChem CID:	52151677
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	437.267842
ΔH_f, kcal/mol:	-95.15
Dipole, Da:	2.88
IP(EA), eV:	-8.74(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[3-(dimethylazaniumyl)propyl]-4,5-dioxo-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]-(2,4,5-trimethyl-1H-pyrrol-3-yl)methanolate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2C(=C(C(=O)N2CCN3CCCCC3)O)C(=O)C

DOS

IR

Vibrations