Geometry & MOs

Info

ID:	307325
PubChem CID:	125299590
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	467.242021
ΔH_f, kcal/mol:	57.0
Dipole, Da:	3.4
IP(EA), eV:	-8.81(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-3-[[(2S)-1-[2-(diethylamino)ethyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-2,4-dimethyl-2H-pyrrole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C[C@H]2C(=C3C(=N2)C(=O)N(C=N3)CCN4CCNCC4)C=C1

DOS

IR

Vibrations