Geometry & MOs

Info

ID:	36023
PubChem CID:	7980649
Reduced:	N2O5H20C21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	379.178358
ΔH_f, kcal/mol:	-116.04
Dipole, Da:	2.72
IP(EA), eV:	-8.44(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC=CO3

DOS

IR

Vibrations