Geometry & MOs

Info

ID:	203320
PubChem CID:	79812694
Reduced:	BrFNO4C14H15 (1)
Stoich.:	ABCD4E14F15 (1)
Weight, g/mol:	297.096085
ΔH_f, kcal/mol:	-192.59
Dipole, Da:	4.1
IP(EA), eV:	-9.68(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(5-nitro-1H-pyrrole-2-carbonyl)morpholin-2-yl]acetate

Drug info:

PubChemData

Smile

COC(=O)CC1CN(CCO1)C(=O)C2=C(C=CC(=C2)F)Br

DOS

IR

Vibrations