Geometry & MOs

Info

ID:	36095
PubChem CID:	7980759
Reduced:	NO3H21C22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	390.103814
ΔH_f, kcal/mol:	-63.6
Dipole, Da:	6.18
IP(EA), eV:	-9.36(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations