Geometry & MOs

Info

ID:	402511
PubChem CID:	135056241
Reduced:	NI2O5H13C16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	360.196841
ΔH_f, kcal/mol:	-119.46
Dipole, Da:	5.44
IP(EA), eV:	-9.0(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-2-[di(butan-2-yl)amino]ethanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)C[C@H](C(=O)O)NC=O)I

DOS

IR

Vibrations