Geometry & MOs

Info

ID:	200682
PubChem CID:	79426670
Reduced:	BrClSN3C13H15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	243.084848
ΔH_f, kcal/mol:	32.49
Dipole, Da:	3.34
IP(EA), eV:	-8.93(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-chlorothiophen-2-yl)cyclopropyl]methyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=C1Br)C(C)C)C2=CC(=CS2)Cl

DOS

IR

Vibrations