Geometry & MOs

Info

ID:	290620
PubChem CID:	109771801
Reduced:	OF3N3C21H28 (1)
Stoich.:	AB3C3D21E28 (1)
Weight, g/mol:	313.02483
ΔH_f, kcal/mol:	-169.3
Dipole, Da:	4.4
IP(EA), eV:	-9.07(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-bromothiophen-2-yl)methyl]-3-cyclopent-3-en-1-yl-2-methylguanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1(CCOCC1)C2=CC(=CC=C2)C(F)(F)F)NC3CC=CC3

DOS

IR

Vibrations