Geometry & MOs

Info

ID:	438714
PubChem CID:	135228465
Reduced:	N2O3C21H22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	329.162708
ΔH_f, kcal/mol:	-93.85
Dipole, Da:	4.13
IP(EA), eV:	-9.18(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-bis(ethenyl)-2,5-dihydropyrrol-1-yl]-[2,4-dihydroxy-3-(hydroxymethyl)-5-propan-2-ylphenyl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C2=C1C(=O)NCC2)O)C(=O)N3CC4=CC=CC=C4C3

DOS

IR

Vibrations