Geometry & MOs

Info

ID:	424804
PubChem CID:	135123982
Reduced:	N3O4C30H35 (1)
Stoich.:	A3B4C30D35 (1)
Weight, g/mol:	325.99761
ΔH_f, kcal/mol:	-81.91
Dipole, Da:	3.8
IP(EA), eV:	-8.8(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[(4-methoxyphenyl)methoxymethyl]-2-methylthiophene

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@@H](C3=CC(=C(C=C3)C)COCC4=CC=C(C=C4)OC)C(C)(C)C(=O)O)C)N=N1

DOS

IR

Vibrations