Geometry & MOs

Info

ID:	232152
PubChem CID:	87575608
Reduced:	ClO2N6C20H25 (1)
Stoich.:	AB2C6D20E25 (1)
Weight, g/mol:	225.9533
ΔH_f, kcal/mol:	-30.7
Dipole, Da:	4.77
IP(EA), eV:	-8.96(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoselenophene-7-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CN=C1C)CN2CC(C3=C2N=C(N=C3Cl)N)CC(=O)NC4COC4)C

DOS

IR

Vibrations