Geometry & MOs

Info

ID:	40193
PubChem CID:	8143726
Reduced:	O2N6C19H20 (1)
Stoich.:	A2B6C19D20 (1)
Weight, g/mol:	348.192331
ΔH_f, kcal/mol:	107.35
Dipole, Da:	4.94
IP(EA), eV:	-9.01(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5R)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=NN=N2)C3(CCCC3)NC4=CC=CC=C4

DOS

IR

Vibrations