Geometry & MOs

Info

ID:	188660
PubChem CID:	77750512
Reduced:	OC16H22 (1)
Stoich.:	AB16C22 (1)
Weight, g/mol:	472.095663
ΔH_f, kcal/mol:	-51.65
Dipole, Da:	0.94
IP(EA), eV:	-8.41(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-amino-4-[1-[2,4-dichloro-3-(hydroxymethyl)phenyl]pyrrol-2-yl]-3-oxobut-1-enyl]benzoate

Drug info:

PubChemData

Smile

CC1CCCC2C1CCC3=C2C=C(C=C3)OC

DOS

IR

Vibrations