Geometry & MOs

Info

ID:	55628
PubChem CID:	17395692
Reduced:	N2O5C20H24 (1)
Stoich.:	A2B5C20D24 (1)
Weight, g/mol:	372.168522
ΔH_f, kcal/mol:	-191.45
Dipole, Da:	3.43
IP(EA), eV:	-9.33(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-methyl 2-O-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN(C)C(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

DOS

IR

Vibrations