Geometry & MOs

Info

ID:	149885
PubChem CID:	53789565
Reduced:	N4O5C28H38 (1)
Stoich.:	A4B5C28D38 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	-167.68
Dipole, Da:	9.94
IP(EA), eV:	-8.82(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-cyano-1,5-diethylpyrrol-2-yl)phenyl]methyl methanesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC=CC=C2OCNC=O)OCCCCCC(=O)N3CCN(CC3)C

DOS

IR

Vibrations