Geometry & MOs

Info

ID:	36024
PubChem CID:	7980653
Reduced:	NO4C23H25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	379.178358
ΔH_f, kcal/mol:	-118.96
Dipole, Da:	5.02
IP(EA), eV:	-8.74(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1[C@@H](C)COC)C)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations