Geometry & MOs

Info

ID:	58288
PubChem CID:	24697487
Reduced:	OSN2C9H18 (1)
Stoich.:	ABC2D9E18 (1)
Weight, g/mol:	322.96156
ΔH_f, kcal/mol:	-55.46
Dipole, Da:	4.32
IP(EA), eV:	-8.46(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-bromothiophen-2-yl)methoxy]-3-methoxybenzonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1O)CCCC(=S)N

DOS

IR

Vibrations