Geometry & MOs

Info

ID:	267303
PubChem CID:	103581702
Reduced:	BrClNC11H13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	216.129634
ΔH_f, kcal/mol:	20.23
Dipole, Da:	4.04
IP(EA), eV:	-9.3(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(thian-3-ylamino)butanamide

Drug info:

PubChemData

Smile

C1CC(C1)NCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations