Geometry & MOs

Info

ID:	58477
PubChem CID:	24702013
Reduced:	NOC6H11 (2)
Stoich.:	ABC6D11 (2)
Weight, g/mol:	320.9823
ΔH_f, kcal/mol:	-114.7
Dipole, Da:	2.36
IP(EA), eV:	-9.22(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenoxy)methyl]benzenecarbothioamide

Drug info:

PubChemData

Smile

CC1CCCC(N1)C(=O)NCC2CCCO2

DOS

IR

Vibrations