Geometry & MOs

Info

ID:	373593
PubChem CID:	131317642
Reduced:	BrNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	217.006119
ΔH_f, kcal/mol:	13.87
Dipole, Da:	3.26
IP(EA), eV:	-9.01(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(Z)-2,3-dichloroprop-2-enyl]pyrrol-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)OC)Br)C2(CC2)CC#N

DOS

IR

Vibrations