Geometry & MOs

Info

ID:	279259
PubChem CID:	103842320
Reduced:	BrClNO4C13H13 (1)
Stoich.:	ABCD4E13F13 (1)
Weight, g/mol:	357.00259
ΔH_f, kcal/mol:	-140.54
Dipole, Da:	1.16
IP(EA), eV:	-9.84(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-4-fluoro-2-iodo-N-prop-2-ynylbenzamide

Drug info:

PubChemData

Smile

COC(=O)C1COCCN1C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations