Geometry & MOs

Info

ID:	203445
PubChem CID:	79831470
Reduced:	BrFNSH13C17 (1)
Stoich.:	ABCDE13F17 (1)
Weight, g/mol:	255.085521
ΔH_f, kcal/mol:	18.29
Dipole, Da:	1.67
IP(EA), eV:	-8.86(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(hydroxymethyl)morpholin-4-yl]-(4-nitro-1H-pyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NC(=C(S2)C)C3=CC=CC=C3Br)F

DOS

IR

Vibrations