Geometry & MOs

Info

ID:	232877
PubChem CID:	87577354
Reduced:	BrO3N5C17H20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	239.96895
ΔH_f, kcal/mol:	-74.67
Dipole, Da:	5.68
IP(EA), eV:	-8.94(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-benzoselenophene-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CN2CC(C3=C2N=C(N=C3Br)N)CC(=O)O

DOS

IR

Vibrations