Geometry & MOs

Info

ID:	294809
PubChem CID:	117497538
Reduced:	BrNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	311.03433
ΔH_f, kcal/mol:	-44.18
Dipole, Da:	2.38
IP(EA), eV:	-9.17(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-4-(thian-4-yl)phenyl]cyclopropan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Br)C)OC)C2(CCCC2)CN

DOS

IR

Vibrations